SCHEMBL8076707

SCHEMBL8076707

COc1cc(C(=O)CSc2ccnc3ccccc23)ccc1OCC1CO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.41
HSD11B1 P28845 6/20 0.41
GCGR P47871 2/20 0.41
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PRNP P04156 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8084786 0.81 GCGR (0.59) TSHRKDM4EMAPTALDH1A1POLB
SCHEMBL8076795 0.81 LMNA (0.45) TSHRKDM4EMAPTALDH1A1POLB
SCHEMBL8076711 0.81 MAPT (0.51) TSHRKDM4EMAPTALDH1A1POLB
SCHEMBL8089833 0.79 PPARG (0.57) KDM4EMAPTALDH1A1POLBLMNA
SCHEMBL1739100 0.74 MEN1 (0.48) TSHRKDM4EMAPTALDH1A1POLB
SCHEMBL8076747 0.73 CYP1A2 (0.55) KDM4EMAPTALDH1A1POLBLMNA
SCHEMBL8084836 0.72 ALDH1A1 (0.54) TSHRKDM4EMAPTALDH1A1POLB
SCHEMBL8088063 0.72 CYP1A2 (0.46) TSHRALDH1A1POLBLMNACYP1A2
SCHEMBL8084078 0.72 CYP1A2 (0.58) TSHRKDM4EMAPTALDH1A1POLB
SCHEMBL8076758 0.72 CYP1A2 (0.47) TSHRKDM4EMAPTALDH1A1POLB

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