SCHEMBL28675609

SCHEMBL28675609

COc1cc2nccc(N3CCC(NCl)CC3)c2cc1OC.[H+]

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.62
EHMT2 Q96KQ7 8/20 0.54
EHMT1 Q9H9B1 5/20 0.54
NPC1 O15118 1/20 0.48
PDGFRB P09619 1/20 0.48
ENPP1 P22413 1/20 0.44
PDE10A Q9Y233 4/20 0.43
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
GAA P10253 1/20 0.43
NSD2 O96028 1/20 0.43
HTR1A P08908 1/20 0.42
HTR7 P34969 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
SCHEMBL22441522 0.88 NCF1 (0.65) NCF1EHMT2EHMT1NPC1PDGFRB
SCHEMBL22455332 0.84 ENPP1 (0.64) NCF1EHMT2EHMT1NPC1PDGFRB
Hydrochloric Acid SCHEMBL22441583 0.84 NCF1 (0.67) NCF1EHMT2EHMT1NPC1PDGFRB
SCHEMBL22445606 0.84 NCF1 (0.70) NCF1EHMT2EHMT1NPC1PDGFRB
SCHEMBL29357443 0.83 NCF1 (0.68) NCF1EHMT2EHMT1NPC1PDGFRB
SCHEMBL22455396 0.83 NCF1 (0.68) NCF1EHMT2EHMT1NPC1PDGFRB
Hydrochloric Acid SCHEMBL22441576 0.81 NCF1 (0.67) NCF1EHMT2EHMT1NPC1PDGFRB
SCHEMBL20782844 0.81 NCF1 (0.54) NCF1EHMT2EHMT1NPC1PDGFRB
SCHEMBL22445552 0.81 NCF1 (0.65) NCF1EHMT2EHMT1NPC1PDGFRB
SCHEMBL30446792 0.81 NCF1 (0.65) NCF1EHMT2EHMT1NPC1PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113924092-A Quinoline and quinazoline compounds and methods of use thereof 斯汀格瑞治疗股份有限公司 2022-01-11 CN disclosed