SCHEMBL9158

SCHEMBL9158

O=CCc1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
HIF1A Q16665 1/20 0.55
VCAM1 P19320 1/20 0.51
ABL1 P00519 7/20 0.45
BCR P11274 7/20 0.45
LMNA P02545 5/20 0.45
RECQL P46063 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
MITF O75030 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA1 P00915 1/20 0.41
MMP2 P08253 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13859280 0.88 ALDH1A1 (0.53) ALDH1A1HIF1AVCAM1ABL1BCR
SCHEMBL14893975 0.86 TDP1 (0.56) ALDH1A1HIF1AVCAM1ABL1BCR
SCHEMBL6947527 0.83 TSHR (0.48) ALDH1A1VCAM1LMNAATMTDP1
SCHEMBL14880650 0.83 ALDH1A1 (0.60) ALDH1A1HIF1AVCAM1ABL1BCR
SCHEMBL3120356 0.81 ALDH1A1 (0.58) ALDH1A1HIF1AVCAM1ABL1BCR
SCHEMBL960995 0.80 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1ABL1BCR
SCHEMBL4124874 0.80 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1ABL1BCR
SCHEMBL14899811 0.80 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1ABL1BCR
SCHEMBL31023151 0.80 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1ABL1BCR
SCHEMBL7615803 0.80 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1ABL1BCR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3765020-A1 SPIROCYCLIC ROR-GAMMA MODULATORS Escalier Biosciences B.V. (US) 2021-01-20 EP disclosed
WO-2019177997-A1 SPIROCYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. (US) 2019-09-19 WO disclosed
EP-3380464-A1 IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS UCB Biopharma SPRL (BE) 2018-10-03 EP disclosed
WO-2018169752-A1 2-AMINOIMIDAZOLE-PHENYL DERIVATIVES USEFUL FOR CONTROLLING MICROBIAL GROWTH NORTH CAROLINA STATE UNIVERSITY (US) 2018-09-20 WO disclosed
WO-2017089453-A1 IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS UCB BIOPHARMA SPRL (BE) 2017-06-01 WO disclosed
EP-3057943-A1 PYRIMIDINE FGFR4 INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2016-08-24 EP disclosed
EP-2981533-A1 PROTEIN KINASE INHIBITORS Orion Corporation (FI) 2016-02-10 EP disclosed
EP-2970114-A1 IDO INHIBITORS Bristol-Myers Squibb Company (US) 2016-01-20 EP disclosed
WO-2015057938-A1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed
WO-2015057963-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed
WO-2011099832-A2 NOVEL BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CRYSTALGENOMICS, INC. (KR) 2011-08-18 WO disclosed
WO-2011044187-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2011-04-14 WO disclosed
WO-2010078408-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2010-07-08 WO disclosed
EP-1989195-A1 PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-12 EP disclosed
WO-2007103260-A1 PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-13 WO disclosed
EP-1392644-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-03 EP disclosed
EP-1230223-B1 OLIGOBENZIMIDAZOLE DERIVATIVES AND THEIR USE AS DNA TRANSFECTION AGENTS AVENTIS PHARMA SA (FR) 2004-02-25 EP disclosed
WO-2002096858-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO disclosed
EP-1230223-A1 OLIGOBENZIMIDAZOLE DERIVATIVES AND THEIR USE AS DNA TRANSFECTION AGENTS Aventis Pharma S.A. (FR) 2002-08-14 EP disclosed
WO-2001032630-A1 OLIGOBENZIMIDAZOLE DERIVATIVES AND THEIR USE AS DNA TRANSFECTION AGENTS AVENTIS PHARMA S.A. (FR) 2001-05-10 WO disclosed