SCHEMBL8076758

SCHEMBL8076758

COc1cc(O)ccc1C(=O)CSc1ccnc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
STAT1 P42224 1/20 0.45
KMT2A Q03164 7/20 0.44
PRNP P04156 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 4/20 0.44
NPC1 O15118 2/20 0.43
CAPN1 P07384 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
TSHR P16473 1/20 0.41
GCGR P47871 1/20 0.40
TTR P02766 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL8084078 0.89 CYP1A2 (0.58) CYP1A2RAB9AALDH1A1KDM4EKMT2A
SCHEMBL8084754 0.85 CYP1A2 (0.49) CYP1A2RAB9AALDH1A1KDM4EKMT2A
SCHEMBL8088063 0.83 CYP1A2 (0.46) CYP1A2RAB9AALDH1A1KMT2APRNP
SCHEMBL8084118 0.82 THRA (0.52) CYP1A2RAB9AALDH1A1KDM4EKMT2A
SCHEMBL8084786 0.80 GCGR (0.59) CYP1A2RAB9AALDH1A1KDM4EKMT2A
SCHEMBL8089833 0.80 PPARG (0.57) CYP1A2ALDH1A1KDM4EKMT2APRNP
SCHEMBL8088268 0.78 HSD17B10 (0.50) CYP1A2RAB9AALDH1A1KDM4EKMT2A
SCHEMBL8076711 0.74 MAPT (0.51) CYP1A2RAB9AALDH1A1KDM4EKMT2A
SCHEMBL8084879 0.74 ALDH1A1 (0.50) CYP1A2RAB9AALDH1A1KDM4EKMT2A
SCHEMBL8076747 0.73 CYP1A2 (0.55) CYP1A2RAB9AALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed