SCHEMBL2908904

SCHEMBL2908904

Cc1cc(C)cc(NC(=O)c2cccnc2SCc2ccnc3c(Cl)c(Cl)ccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.46
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 6/20 0.42
MEN1 O00255 3/20 0.42
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.38
CSF1R P07333 1/20 0.38
ATM Q13315 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
SCHEMBL2913390 0.93 KDR (0.45) KDRKDM4EHTTKMT2AMEN1
SCHEMBL1496254 0.85 KDR (0.48) KDRKDM4EHTTKMT2AMEN1
SCHEMBL2909264 0.83 LMNA (0.50) KDRKDM4EHTTKMT2AMEN1
SCHEMBL2916664 0.83 LMNA (0.49) KDRKDM4EHTTKMT2AMEN1
SCHEMBL1496291 0.83 KDM4E (0.47) KDRKDM4EHTTKMT2AMEN1
SCHEMBL4021595 0.82 KDR (0.55) KDRKDM4EHTTKMT2AMEN1
SCHEMBL1496285 0.81 KDM4E (0.44) KDRKDM4EHTTKMT2AMEN1
SCHEMBL2916686 0.80 NPC1 (0.54) KDRKDM4EHTTKMT2AMEN1
SCHEMBL1496351 0.78 LMNA (0.52) KDRKDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL1496333 0.78 KDR (0.46) KDRKDM4EHTTKMT2AMEN1

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
EP-1854787-B1 NOVEL CYCLIC COMPOUND HAVING QUINOLYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2010-09-01 EP claimed