SCHEMBL1496413

SCHEMBL1496413

Cc1cc(NC(=O)c2cccnc2SCc2ccnc3ccccc23)ccc1C(C)C.O=C(Nc1ccc(O)cc1)c1cccnc1SCc1ccnc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.42
LMNA P02545 2/20 0.40
KMT2A Q03164 1/20 0.40
ACLY P53396 1/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
BLK P51451 1/20 0.38
NR4A1 P22736 1/20 0.38
ESR2 Q92731 1/20 0.38
OPRL1 P41146 1/20 0.37
NTSR1 P30989 1/20 0.37
DNMT1 P26358 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
FLT1 P17948 2/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1496320 0.96 KDR (0.43) KDRLMNAKMT2AACLYHTT
SCHEMBL1496367 0.88 KDR (0.53) KDRLMNAKMT2AACLYNR4A1
SCHEMBL1496313 0.84 KDM4E (0.45) KDRLMNAKMT2AACLYHTT
SCHEMBL1496312 0.84 KMT2A (0.47) KDRLMNAKMT2AACLYHTT
SCHEMBL1496273 0.83 KDR (0.48) KDRLMNAKMT2AKDM4ENR4A1
SCHEMBL1496280 0.81 KDR (0.53) KDRLMNAKMT2AACLYHTT
SCHEMBL1496291 0.81 KDM4E (0.47) KDRLMNAKMT2AACLYHTT
SCHEMBL1496305 0.80 KDR (0.50) KDRLMNAKMT2AACLYNR4A1
SCHEMBL1496366 0.80 KDR (0.66) KDRKMT2AACLYKDM4EOPRL1
SCHEMBL1496364 0.79 HTR2C (0.53) KDRLMNAKMT2AHTTNR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897774-B2 Cyclic compound having quinolylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-01 US claimed