SCHEMBL8538575

SCHEMBL8538575

CC(N)=C(C(=O)OC(=O)c1cccc(NC=NN)c1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 2/20 0.39
PARP1 P09874 2/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
NPC1 O15118 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 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
SCHEMBL8541184 0.91 RAB9A (0.39) RAB9AMEN1KMT2AALDH1A1PARP1
SCHEMBL8542569 0.77 ROCK1 (0.46) RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL8539554 0.75 CA1 (0.38) RAB9AMEN1KMT2AALDH1A1PARP1
SCHEMBL8537256 0.74 L3MBTL1 (0.40) MEN1KMT2AALDH1A1PARP1PARP15
SCHEMBL6777725 0.74 RAB9A (0.50) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL8542600 0.73 ERCC5 (0.41) RAB9AMEN1KMT2AALDH1A1PARP1
SCHEMBL8538084 0.72 ITGB3 (0.47)
SCHEMBL8538572 0.72 KMT2A (0.36) RAB9AMEN1KMT2AALDH1A1PARP1
SCHEMBL8538198 0.71 CA1 (0.38) RAB9AMEN1KMT2AALDH1A1PARP1
SCHEMBL8538622 0.71 ITGB3 (0.49)

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