SCHEMBL10898993

SCHEMBL10898993

Cc1ccc([C@H]2Sc3cc(F)ccc3NC(=O)[C@H]2O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.53
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
USP2 O75604 1/20 0.53
ESR1 P03372 1/20 0.53
THRB P10828 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
PTPN7 P35236 1/20 0.53
RECQL P46063 1/20 0.53
ESR2 Q92731 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
KMT2A Q03164 9/20 0.40
MEN1 O00255 7/20 0.40
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL11018324 1.00 POLB (0.53) POLBKDM4ETDP1USP2ESR1
SCHEMBL11018327 1.00 POLB (0.53) POLBKDM4ETDP1USP2ESR1
SCHEMBL8485993 0.90 KDM4E (0.58) POLBKDM4ETDP1USP2ESR1
SCHEMBL9189547 0.90 KDM4E (0.58) POLBKDM4ETDP1USP2ESR1
SCHEMBL9189552 0.90 KDM4E (0.58) POLBKDM4ETDP1USP2ESR1
SCHEMBL10637046 0.87 POLB (0.50) POLBKDM4ETDP1USP2ESR1
SCHEMBL10637033 0.87 POLB (0.50) POLBKDM4ETDP1USP2ESR1
SCHEMBL10966427 0.87 POLB (0.50) POLBKDM4ETDP1USP2ESR1
SCHEMBL10897219 0.82 HSD17B10 (0.79) POLBKDM4ETDP1USP2ESR1
SCHEMBL11021133 0.82 POLB (0.58) POLBKDM4ETDP1USP2ESR1

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-4594342-A Anticoagulants TANABE SEIYAKU CO., LTD. (JP) 1986-06-10 US disclosed
EP-0158340-A2 Novel 1,5-benzothiazepine derivative, processes for preparing the same and pharmaceutical compositions Tanabe Seiyaku Co., Ltd. (JP) 1985-10-16 EP disclosed