SCHEMBL8537256

SCHEMBL8537256

CCC(=O)C(=C(C(=O)O)c1ccccc1)c1cccc(NC=NN)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA4 P22748 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
DHODH Q02127 1/20 0.36
TP53 P04637 2/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL8542579 0.82 CA1 (0.39) L3MBTL1CA1CA2CA4MEN1
SCHEMBL8542600 0.80 ERCC5 (0.41) CA1CA2CA4MEN1KMT2A
SCHEMBL8539554 0.79 CA1 (0.38) L3MBTL1CA1CA2CA4MEN1
SCHEMBL8538198 0.78 CA1 (0.38) L3MBTL1CA1CA2CA4MEN1
SCHEMBL8543794 0.77 CA1 (0.35) CA1CA2CA4MEN1KMT2A
SCHEMBL8538221 0.77 CA1 (0.35) CA1CA2CA4MEN1KMT2A
SCHEMBL8544139 0.77 KAT6A (0.38) ALDH1A1MAPTSMN1; SMN2PARP1PARP15
SCHEMBL6777725 0.76 RAB9A (0.50) L3MBTL1CA1CA2MEN1KMT2A
SCHEMBL8538572 0.76 KMT2A (0.36) CA1CA2CA4MEN1KMT2A
SCHEMBL8542659 0.75 CA1 (0.38) CA1CA2CA4MEN1KMT2A

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