SCHEMBL7698784

SCHEMBL7698784

COc1ccc(-c2n[nH]c3c2sc2ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CDK4 P11802 2/20 0.43
CCND1 P24385 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 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
SCHEMBL7090927 0.88 GAA (0.46) NPC1RAB9ATP53MAPTMAPK1
SCHEMBL7095837 0.85 MEN1 (0.51) ALDH1A1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL7000848 0.84 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL7094698 0.82 PDPK1 (0.43) ALDH1A1NPC1RAB9AHPGDMAPT
SCHEMBL7090318 0.82 CSF1R (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL7096389 0.82 MAPT (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL20035103 0.80 HTR2B (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6994774 0.78 MEN1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1622351 0.77 NPC1 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL7091161 0.76 MAP2K4 (0.45) ALDH1A1MAPK1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1127051-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP claimed
WO-2000027822-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO claimed
US-6462036-B1 INHIBITING SIGNAL TRANSDUCTION BY MODULATING ACTIVITY OF RECEPTOR AND NONRECEPTOR TYROSINE AND SERINE/THREONINE KINASES TO REGULATE AND MODULATE ABNORMAL OR INAPPROPRIATE CELL PROLIFERATION, DIFFERENTIATION, OR METABOLISM BASF AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
EP-1127051-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP disclosed
WO-2000027822-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO disclosed