SCHEMBL8538381

SCHEMBL8538381

Cc1c(C=C(C(=O)O)c2cccc(NC(=N)N)c2)cccc1NC=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.38
PARP10 Q53GL7 6/20 0.38
PARP15 Q460N3 4/20 0.38
KDR P35968 1/20 0.37
PARP14 Q460N5 4/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CREBBP Q92793 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
F10 P00742 1/20 0.34

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
SCHEMBL8538801 0.88 KDR (0.37) PARP1PARP10PARP15KDRPARP14
SCHEMBL8542380 0.86 PARP1 (0.37) PARP1PARP10PARP15KDRPARP14
SCHEMBL8538559 0.85 PARP1 (0.38) PARP1PARP10PARP15PARP14MEN1
SCHEMBL8539103 0.85 RXFP1 (0.41) PARP1PARP10PARP15KDRPARP14
SCHEMBL8540539 0.85 PARP1 (0.41) PARP1PARP10PARP15KDRPARP14
SCHEMBL8536782 0.82 NPC1 (0.37) PARP1PARP10PARP15PARP14MEN1
SCHEMBL8544132 0.82 LMNA (0.39) PARP1PARP10PARP15PARP14MEN1
SCHEMBL8542355 0.81 MAPT (0.42) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8542521 0.78 CBS (0.37) PARP1PARP10PARP15PARP14MEN1
SCHEMBL8538586 0.75 RXFP1 (0.43) RXFP1

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-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US claimed