SCHEMBL2308773

SCHEMBL2308773

O=[N+]([O-])c1cccc(-n2cnc3ccccc32)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 7/20 1.00
ALDH1A1 P00352 4/20 0.68
HPGD P15428 1/20 0.64
HTT P42858 3/20 0.64
MAPT P10636 2/20 0.55
MITF O75030 1/20 0.55
LMNA P02545 1/20 0.55
XBP1 P17861 1/20 0.55
MDM2 Q00987 1/20 0.55
LCK P06239 1/20 0.52

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
SCHEMBL29449347 1.00 FGFR1 (1.00) FGFR1ALDH1A1HPGDHTTMAPT
SCHEMBL3834819 0.84 FGFR1 (0.72) FGFR1ALDH1A1HPGDHTTMAPT
SCHEMBL2646728 0.82 FGFR1 (0.69) FGFR1ALDH1A1HPGDHTTMAPT
SCHEMBL19911376 0.81 FGFR1 (1.00) FGFR1ALDH1A1HPGDHTTMAPT
SCHEMBL3342620 0.81 ALDH1A1 (1.00) FGFR1ALDH1A1HPGDHTTMAPT
SCHEMBL3417304 0.81 HTT (0.78) FGFR1HTT
SCHEMBL2647103 0.79 FGFR1 (0.65) FGFR1ALDH1A1HPGDHTTMAPT
SCHEMBL2646675 0.78 FGFR1 (0.63) FGFR1ALDH1A1HPGDMAPT
SCHEMBL29830083 0.77 FGFR1 (1.00) FGFR1ALDH1A1HPGDHTT
SCHEMBL27241663 0.77 FGFR1 (1.00) FGFR1ALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114133404-A Preparation method and application of copper-based coordination polymer with mixed valence states 洛阳师范学院 2022-03-04 CN claimed
CN-114133404-A Preparation method and application of copper-based coordination polymer with mixed valence states 洛阳师范学院 2022-03-04 CN disclosed
EP-2348855-A2 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION Burnham Institute for Medical Research (US) 2011-08-03 EP disclosed
WO-2010033643-A2 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-03-25 WO disclosed
US-6218388-B1 THERAPY OF PROTEIN TYROSINE KINASE MEDIATED CANCER, ATHEROSCLEROSIS, RESTENOSIS, AND PSORIASIS BY ADMINISTERING BENZIMIDAZOLE DERIVATIVE WARNER-LAMBERT COMPANY 2001-04-17 US disclosed
US-5990146-A TREATING PROTEIN TYROSINE KINASE MEDIATED CANCER; ANTICARCINOGENIC AGENTS; ATHEROSCLEROSIS; RESTENOSIS; PSORIASIS; ANTIPROLIFERATIVE AGENTS WARNER-LAMBERT COMPANY (US) 1999-11-23 US disclosed