SCHEMBL8540350

SCHEMBL8540350

COc1c(C=CC(=O)O)cccc1NC(=O)c1cccc(NC(=N)N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.50
ITGAV P06756 7/20 0.50
ITGA2B P08514 7/20 0.50
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ITGB1 P05556 1/20 0.46
ITGB5 P18084 1/20 0.46
PKM P14618 1/20 0.44
LMNA P02545 1/20 0.43
SMO Q99835 1/20 0.43
ALDH1A1 P00352 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
PARP1 P09874 2/20 0.42
PARP15 Q460N3 2/20 0.42
PARP14 Q460N5 2/20 0.42

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
SCHEMBL8542529 0.86 ITGB3 (0.50) ITGB3ITGAVITGA2BMAPTITGB1
SCHEMBL7496705 0.81 ITGB3 (0.69) ITGB3ITGAVITGA2BMAPTNPC1
SCHEMBL7496697 0.81 ITGB3 (0.69) ITGB3ITGAVITGA2BMAPTNPC1
SCHEMBL7499562 0.80 ITGB3 (0.72) ITGB3ITGAVITGA2BRAB9ASMN1; SMN2
SCHEMBL7509243 0.80 ITGB3 (0.55) ITGB3ITGAVITGA2BMAPTRAB9A
SCHEMBL7499556 0.80 ITGB3 (0.72) ITGB3ITGAVITGA2BRAB9ASMN1; SMN2
SCHEMBL7509239 0.80 ITGB3 (0.55) ITGB3ITGAVITGA2BMAPTRAB9A
SCHEMBL7502040 0.79 ITGB3 (0.56) ITGB3ITGAVITGA2BMAPTKMT2A
SCHEMBL7502052 0.79 ITGB3 (0.56) ITGB3ITGAVITGA2BMAPTKMT2A
SCHEMBL7501198 0.79 PKM (0.48) ITGB3ITGAVITGA2BMAPTNPC1

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