SCHEMBL8538559

SCHEMBL8538559

Cc1cccc(C=C(C(=O)O)c2cccc(NC(=N)N)c2)c1NC=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.38
PARP10 Q53GL7 6/20 0.38
PARP15 Q460N3 4/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MITF O75030 2/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
PAX8 Q06710 1/20 0.36
KLF5 Q13887 1/20 0.36
PARP14 Q460N5 4/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NR1H4 Q96RI1 1/20 0.34
CREBBP Q92793 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
SCHEMBL8536782 0.88 NPC1 (0.37) PARP1PARP10PARP15NPC1RAB9A
SCHEMBL8544132 0.88 LMNA (0.39) PARP1PARP10PARP15NPC1RAB9A
SCHEMBL8542355 0.87 MAPT (0.42) NPC1RAB9ASMN1; SMN2MITFKCNK3
SCHEMBL8538381 0.85 PARP1 (0.38) PARP1PARP10PARP15NPC1RAB9A
SCHEMBL8538801 0.81 KDR (0.37) PARP1PARP10PARP15NPC1RAB9A
SCHEMBL8539597 0.81 MEN1 (0.41) PARP1PARP10PARP15NPC1RAB9A
SCHEMBL8542380 0.80 PARP1 (0.37) PARP1PARP10PARP15NPC1RAB9A
SCHEMBL8540539 0.79 PARP1 (0.41) PARP1PARP10PARP15PARP14ALDH1A1
SCHEMBL8539103 0.79 RXFP1 (0.41) PARP1PARP10PARP15NPC1RAB9A
SCHEMBL8542521 0.73 CBS (0.37) PARP1PARP10PARP15NPC1RAB9A

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