SCHEMBL27744255

SCHEMBL27744255

Cc1cccc(C(=O)NC(C)C#N)c1N

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CTSV O60911 2/20 0.37
CTSL P07711 2/20 0.37
CTSS P25774 2/20 0.37
CTSK P43235 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.36
DPP4 P27487 1/20 0.36
CHRM2 P08172 2/20 0.36
GLA P06280 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
SCHEMBL3194752 0.83 ALOX5 (0.49) ALDH1A1KDM4ESMN1; SMN2LMNACHRM2
SCHEMBL22492152 0.82 MEN1 (0.41) ALDH1A1KDM4ESMN1; SMN2CTSVCTSL
SCHEMBL27723702 0.78 HPGD (0.53) ALDH1A1SMN1; SMN2HPGDLMNAGLA
SCHEMBL27723541 0.77 TRPA1 (0.36) ALDH1A1KDM4ECTSVCTSLCTSS
SCHEMBL2062239 0.76 HPGD (0.46) ALDH1A1KDM4ESMN1; SMN2CTSVCTSL
SCHEMBL21612254 0.75 ALDH1A1 (0.38) ALDH1A1KDM4ESMN1; SMN2HPGDCHRM2
SCHEMBL10101480 0.75 CNR1 (0.41) ALDH1A1KDM4ESMN1; SMN2HPGDCHRM2
SCHEMBL799372 0.75 KCNK3 (0.43) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL31038153 0.74 PLK1 (0.50) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL635088 0.74 PLK1 (0.50) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10

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
CN-101298451-B Benzamide compounds and use thereof SINOCHEM CORP 2013-01-30 CN disclosed
CN-101298451-A Benzamide compounds and use thereof SINOCHEM CORP (CN) 2008-11-05 CN disclosed