SCHEMBL7656632

SCHEMBL7656632

COc1cccc(C(C#N)CC2CCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
EED O75530 1/20 0.40
HSP90AB1 P08238 1/20 0.40
AOC3 Q16853 1/20 0.39
PDE4A P27815 1/20 0.39
ADORA2A P29274 1/20 0.39

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
SCHEMBL9230540 0.80 KMT2A (0.48) KMT2AMAPK1AOC3
SCHEMBL29061992 0.78 KMT2A (0.49) KMT2AAOC3
SCHEMBL7652207 0.78 KMT2A (0.49) KMT2AAOC3
SCHEMBL31347526 0.77 ALDH1A1 (0.44) KMT2AALDH1A1
SCHEMBL9230531 0.77 KMT2A (0.51) KMT2AMAPK1AOC3PDE4A
SCHEMBL7404547 0.77 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3POLBALDH1A1
SCHEMBL7657764 0.76 SLC6A3 (0.52) SLC6A2SLC6A4SLC6A3POLBKMT2A
SCHEMBL7371959 0.76 KMT2A (0.47) SLC6A2SLC6A4SLC6A3KMT2AAOC3
SCHEMBL7410294 0.76 KMT2A (0.47) KMT2AAOC3
SCHEMBL2647149 0.75 POLB (0.52) SLC6A2SLC6A4SLC6A3POLBKMT2A

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
US-6358973-B1 FOR THERAPY OF ALLERGIC OR INFLAMMATORY DISEASE ZAMBON GROUP S.P.A. (IT) 2002-03-19 US disclosed