SCHEMBL11258591

SCHEMBL11258591

Cc1ccc(C(=O)NCCc2ccccc2Cl)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.76
TRPV1 Q8NER1 1/20 0.64
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
LMNA P02545 1/20 0.62
POLB P06746 1/20 0.62
MAPT P10636 1/20 0.61
SIRT1 Q96EB6 1/20 0.59
CDK4 P11802 1/20 0.58
CCND1 P24385 1/20 0.58
NAMPT P43490 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
TSHR P16473 1/20 0.56
P2RX7 Q99572 1/20 0.56
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
ROCK2 O75116 1/20 0.52
ROCK1 Q13464 1/20 0.52
CNR1 P21554 1/20 0.51

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
SCHEMBL5598218 0.88 HIF1A (0.85) HIF1ATRPV1NPC1RAB9ALMNA
SCHEMBL8160653 0.87 HIF1A (1.00) HIF1ATRPV1NPC1RAB9ALMNA
SCHEMBL13947384 0.85 SMN1; SMN2 (0.73) NPC1RAB9ALMNAPOLBMAPT
SCHEMBL18503580 0.83 HIF1A (0.60) HIF1ATRPV1NPC1RAB9ALMNA
SCHEMBL1568227 0.82 HIF1A (0.72) HIF1ATRPV1RAB9AMAPTNAMPT
SCHEMBL14082324 0.82 HIF1A (0.62) HIF1ATRPV1POLBMAPTNAMPT
SCHEMBL3639491 0.82 HIF1A (0.75) HIF1ATRPV1MAPTNAMPTSMN1; SMN2
SCHEMBL10520199 0.81 HIF1A (0.66) HIF1ATRPV1NPC1RAB9ALMNA
SCHEMBL13988657 0.80 HIF1A (0.64) HIF1ATRPV1NPC1RAB9AMAPT
SCHEMBL11251889 0.79 SNCA (0.60) HIF1ANPC1RAB9AMAPTSIRT1

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-4337256-A ANTIINFLAMMATORY AGENTS; ANTIAGGLOMERANTS; ENZYME INHIBITORS; ANTIULCER AGENTS TEIKOKU HORMONE MANUFACTURING CO., LTD. (JP) 1982-06-29 US disclosed
EP-0013411-A1 Isoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them TEIKOKU HORMONE MFG. CO., LTD. (JP) 1980-07-23 EP disclosed