SCHEMBL11271082

SCHEMBL11271082

CC(CCN)C(=O)c1cccc(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.46
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.43
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
GABRR1 P24046 2/20 0.40
KDM4C Q9H3R0 1/20 0.40
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
Hydrochloric Acid SCHEMBL11264396 0.98 F2 (0.46) PBRM1NPC1MITFLMNAPOLB
SCHEMBL11208323 0.86 ADRB2 (0.46) PBRM1NPC1MITFLMNAPOLB
Hydrochloric Acid SCHEMBL11276213 0.85 ADRB2 (0.45) PBRM1NPC1MITFLMNAPOLB
SCHEMBL10807467 0.81 GABRR1 (0.52) NPC1LMNAPOLBALDH1A1GABRR1
SCHEMBL11209784 0.80 HSD17B10 (0.38) NPC1POLBALDH1A1PRSS1PRSS2
SCHEMBL12099224 0.79 PBRM1 (0.45) PBRM1NPC1MITFLMNAPOLB
SCHEMBL12099223 0.79 PBRM1 (0.45) PBRM1NPC1MITFLMNAPOLB
SCHEMBL12163002 0.79 PBRM1 (0.45) PBRM1NPC1MITFLMNAPOLB
SCHEMBL9254112 0.79 PBRM1 (0.55) PBRM1NPC1MITFLMNAPOLB
Hydrochloric Acid SCHEMBL11212033 0.79 PARP1 (0.37) NPC1POLBALDH1A1PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4344957-A Benz-acyl-benzimidazole derivatives and antiallergic compositions CIBA-GEIGY CORPORATION (US) 1982-08-17 US disclosed
US-4213993-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1980-07-22 US disclosed
US-4141982-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed