SCHEMBL19785837

SCHEMBL19785837

Cc1c(Br)cccc1NC(=O)c1cc(C=O)c[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.46
KDM4E B2RXH2 3/20 0.39
RXFP1 Q9HBX9 2/20 0.39
PARP1 P09874 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PTGES O14684 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL19785953 0.90 KDR (0.45) KDRKDM4ERXFP1PARP1MEN1
SCHEMBL19785492 0.83 CD274 (0.44) KDRKDM4ENPC1RAB9ALMNA
SCHEMBL19785841 0.78 PDCD1 (0.46) KDR
SCHEMBL19779555 0.78 ATM (0.43) KDM4ERXFP1MEN1KMT2ANPC1
SCHEMBL30836634 0.76 KDM4E (0.43) KDM4ERXFP1MEN1KMT2ANPC1
SCHEMBL19785829 0.74 TAS1R3 (0.46) KDRKDM4ERXFP1KMT2ACASP3
SCHEMBL19785758 0.73 KDR (0.43) KDRKDM4ENPC1RAB9ALMNA
SCHEMBL22659649 0.71 CD274 (0.47) ATM
SCHEMBL20539477 0.71 PDCD1 (0.49) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL31145808 0.71 PDCD1 (0.49) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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
WO-2018119286-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION (US) 2018-06-28 WO disclosed
WO-2018013789-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION (US) 2018-01-18 WO disclosed