SCHEMBL6259587

SCHEMBL6259587

CC(=O)Nc1ccc(C(N)=O)cc1NC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.52
NEU3 Q9UQ49 1/20 0.51
DYRK1A Q13627 1/20 0.49
ALDH1A1 P00352 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA9 Q16790 4/20 0.44
TOP2A P11388 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BRD4 O60885 1/20 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
SCHEMBL10600114 0.85 PRKCI (0.54) NEU3DYRK1AALDH1A1HDAC1HDAC6
SCHEMBL7367784 0.84 CA1 (0.58) NEU3DYRK1AALDH1A1HDAC1HDAC6
SCHEMBL9995048 0.84 CA1 (0.59) F10NEU3DYRK1AALDH1A1HDAC1
SCHEMBL4398972 0.84 HDAC1 (0.51) F10NEU3DYRK1AALDH1A1HDAC1
SCHEMBL3891611 0.82 NPC1 (0.64) NEU3ALDH1A1HDAC1HDAC6NPC1
SCHEMBL141675 0.81 NEU3 (0.60) F10NEU3ALDH1A1HDAC1HDAC6
SCHEMBL4443570 0.81 ALDH1A1 (0.51) F10NEU3ALDH1A1HDAC1HDAC6
SCHEMBL3000834 0.80 NEU3 (0.48) F10NEU3DYRK1AALDH1A1HDAC1
SCHEMBL3050749 0.80 RAB9A (0.49) NEU3DYRK1AHDAC1HDAC6NPC1
SCHEMBL6170977 0.79 PARP1 (0.53) DYRK1AALDH1A1MAPTKMT2ASMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581202-A2 METHODS FOR THE TREATMENT OF PAIN AND TRAUMATIC INJURY USING BENZAMIDES AND COMPOSITIONS CONTAINING THE SAME Renovis, Inc. (US) 2005-10-05 EP disclosed
WO-2004060286-A2 METHODS FOR THE TREATMENT OF PAIN AND TRAUMATIC INJURY USING BENZAMIDES AND COMPOSITIONS CONTAINING THE SAME RENOVIS, INC. (US) 2004-07-22 WO disclosed
US-5215738-A Used for destroying hypoxic tumor cells SRI INTERNATIONAL (US) 1993-06-01 US disclosed
US-5041653-A Antitumor agents SRI INTERNATIONAL (US) 1991-08-20 US disclosed
US-5032617-A Antitumor agents SRI INTERNATIONAL (US) 1991-07-16 US disclosed
EP-0190524-B1 Industrial synthesis of N-[(1'-allyl-2'-pyrrolidinyl)methyl]-2-methoxy-4,5-azimido benzamide SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1991-03-06 EP disclosed
WO-1986006628-A1 BENZAMIDE AND NICOTINAMIDE RADIOSENSITIZERS SRI INTERNATIONAL (US) 1986-11-20 WO disclosed