SCHEMBL4060658

SCHEMBL4060658

O=[N+]([O-])c1[c]ncc(Br)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1531216 0.78 CYP19A1 (0.38) MAPTGAAMEN1KMT2A
SCHEMBL11734011 0.76 ALDH1A1 (0.34) MAPTGAAHPGDMEN1KMT2A
SCHEMBL1637757 0.76 TSHR (0.39) MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4922723 0.76 ALDH1A1 (0.38)
SCHEMBL4926647 0.76 ATM (0.34)
SCHEMBL28195381 0.72 ERN1 (0.37) MEN1KMT2A
SCHEMBL6304840 0.71 MAPT (0.43) MAPTGAAHPGDMEN1KMT2A
SCHEMBL11724286 0.68 TSHR (0.39) MEN1KMT2A
SCHEMBL447325 0.67
SCHEMBL11750501 0.67 ERN1 (0.34)

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594047-B1 Arylazo chromoionophores BAYER AG (US) 2000-01-05 EP claimed
US-5310888-A Calcium detection MILES INC. (US) 1994-05-10 US claimed
EP-0594047-A1 Arylazo chromoionophores Bayer Corporation (US) 1994-04-27 EP claimed
EP-0122109-A2 Preparation of cyano- or aminoalkyl substituted aromatic amines SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-10-17 EP claimed
CN-118302427-A Fused ring derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-07-05 CN disclosed
WO-2024099441-A1 BROMODOMAIN AND EXTRA-TERMINAL (BET) PROTEIN DEGRADER JINGRUI BIOPHARMA (SHANDONG) CO., LTD. (CN) 2024-05-16 WO disclosed
EP-4281451-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS Jingrui Biopharma Co., Ltd. (CN) 2023-11-29 EP disclosed
EP-3814352-A1 TRICYCLIC COMPOUNDS Jacobio Pharmaceuticals Co., Ltd. (CN) 2021-05-05 EP disclosed
EP-3784671-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2021-03-03 EP disclosed
WO-2019201283-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS, INC. (US) 2019-10-24 WO disclosed
CN-101243068-B Compounds for the treatment of multi-drug resistant bacterial infections ASTRAZENECA AB 2012-08-08 CN disclosed
EP-1658289-B1 3-SUBSTITUTED IMIDAZOPYRIDINE-DERIVATIVES AS C-KIT INHIBITORS OSI PHARM INC (US) 2009-03-18 EP disclosed
CN-101243068-A Compounds for the treatment of multi-drug resistant bacterial infections ASTRAZENECA AB (SE) 2008-08-13 CN disclosed
EP-1041447-A1 Decolorable image forming material and decoloring method of the same Kabushiki Kaisha Toshiba (JP) 2000-10-04 EP disclosed
EP-0594047-B1 Arylazo chromoionophores BAYER AG (US) 2000-01-05 EP disclosed
US-5310888-A Calcium detection MILES INC. (US) 1994-05-10 US disclosed
EP-0594047-A1 Arylazo chromoionophores Bayer Corporation (US) 1994-04-27 EP disclosed
EP-0122109-A2 Preparation of cyano- or aminoalkyl substituted aromatic amines SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-10-17 EP disclosed