SCHEMBL8539600

SCHEMBL8539600

Cc1cc(C)cc(C(C(=O)O)=C(N)C(=O)c2cccc(NC(N)=O)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KCNK3 O14649 2/20 0.44
KCNK9 Q9NPC2 2/20 0.44
POLB P06746 2/20 0.44
KCNH2 Q12809 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PARP1 P09874 5/20 0.42
PARP10 Q53GL7 4/20 0.42
PARP15 Q460N3 3/20 0.42
THRB P10828 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 2/20 0.40
PARP14 Q460N5 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
STAT1 P42224 1/20 0.39

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
SCHEMBL8542422 0.82 PARP1 (0.36) MEN1KMT2AKCNK3KCNK9POLB
SCHEMBL8538025 0.77 ITGB3 (0.49)
SCHEMBL8537884 0.76 SMN1; SMN2 (0.50) KMT2APOLBNPC1RAB9ASMN1; SMN2
SCHEMBL8540372 0.76 KCNK3 (0.37) MEN1KMT2AKCNK3KCNK9POLB
SCHEMBL8538564 0.75 PARP1 (0.40) MEN1KMT2AKCNK3KCNK9POLB
SCHEMBL5210059 0.72 KMT2A (0.62) MEN1KMT2AKCNK3KCNK9NPC1
Benzene SCHEMBL15881255 0.72 HSD17B10 (0.67) MEN1KMT2AKCNK3KCNK9POLB
SCHEMBL4795890 0.72 KMT2A (0.66) MEN1KMT2APOLBNPC1RAB9A
Urea SCHEMBL307661 0.71 KMT2A (0.60) MEN1KMT2AKCNK3KCNK9NPC1
SCHEMBL19704269 0.71 ALDH1A1 (0.47) MEN1KMT2APOLBSMN1; SMN2PARP1

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