SCHEMBL9620940

SCHEMBL9620940

CCCCc1ccc(-c2ccc(OCC)cc2)nc1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.91
MAPT P10636 5/20 0.91
L3MBTL1 Q9Y468 3/20 0.91
CASP3 P42574 2/20 0.72
SENP8 Q96LD8 2/20 0.72
SENP7 Q9BQF6 2/20 0.72
SENP6 Q9GZR1 2/20 0.72
SMN1; SMN2 Q16637 9/20 0.68
NPC1 O15118 8/20 0.68
NFKB1 P19838 4/20 0.68
NFKB2 Q00653 4/20 0.68
RELA Q04206 4/20 0.68
MAPK1 P28482 2/20 0.68
THRB P10828 2/20 0.63
STAT3 P40763 1/20 0.61
ATM Q13315 1/20 0.61
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 4/20 0.51
TP53 P04637 2/20 0.50

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
SCHEMBL10560836 0.97 RAB9A (0.86) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL10555234 0.97 RAB9A (0.86) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL10554929 0.97 RAB9A (0.86) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9620792 0.95 RAB9A (1.00) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9620812 0.94 RAB9A (0.97) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9621212 0.94 RAB9A (0.97) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9620849 0.94 RAB9A (0.97) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL10556512 0.93 RAB9A (0.94) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL10552803 0.93 RAB9A (0.94) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL10554948 0.93 RAB9A (0.94) RAB9AMAPTL3MBTL1CASP3SENP8

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
EP-0283490-B1 PROCESS FOR THE PRODUCTION OF ETHANE DERIVATIVES MERCK PATENT GmbH (DE) 1992-01-08 EP disclosed