SCHEMBL8305811

SCHEMBL8305811

Nc1ccc(C(=O)c2ccco2)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.61
ALDH1A1 P00352 6/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
TDP1 Q9NUW8 2/20 0.54
POLB P06746 2/20 0.54
THRB P10828 1/20 0.54
APEX1 P27695 1/20 0.54
RECQL P46063 1/20 0.54
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MAPT P10636 7/20 0.43
RAB9A P51151 4/20 0.43
PSMD14 O00487 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL15207580 0.84 KMT2A (0.58) ALDH1A1MEN1KMT2ATDP1POLB
SCHEMBL7090488 0.79 JAK2 (0.53) ALDH1A1MEN1KMT2ATDP1POLB
SCHEMBL11754394 0.78 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ATDP1POLB
SCHEMBL8306297 0.77 MAPT (0.57) ALDH1A1MEN1KMT2ATDP1POLB
SCHEMBL10751328 0.76 KMT2A (0.56) GFERALDH1A1MEN1KMT2ATDP1
SCHEMBL13219548 0.76 GFER (1.00) GFERALDH1A1MEN1KMT2APOLB
SCHEMBL7082338 0.74 HPGD (0.43) GFERALDH1A1POLBTHRBRECQL
SCHEMBL5963546 0.73 MAPK13 (0.58) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL22322147 0.73 HTT (0.62) ALDH1A1MEN1KMT2ATDP1POLB
SCHEMBL7183309 0.73 SRD5A2 (0.54) ALDH1A1MEN1KMT2APOLBTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 WO disclosed