SCHEMBL11069741

SCHEMBL11069741

CCCCCc1ccc(-c2cnc(C3CCC(CC)CC3)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 7/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
HRH3 Q9Y5N1 1/20 0.41
RARB P10826 5/20 0.40
NPC1 O15118 2/20 0.40
TSHR P16473 1/20 0.40
RARA P10276 1/20 0.40
MTOR P42345 1/20 0.40
STAT3 P40763 1/20 0.39
ATM Q13315 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
SCHEMBL11069744 1.00 SPHK1 (0.44) SPHK1RAB9AMAPTHSD17B10MEN1
SCHEMBL11075813 0.91 SPHK1 (0.43) SPHK1RAB9AMAPTHSD17B10MEN1
SCHEMBL11070004 0.91 SPHK1 (0.43) SPHK1RAB9AMAPTHSD17B10MEN1
SCHEMBL11075810 0.91 SPHK1 (0.43) SPHK1RAB9AMAPTHSD17B10MEN1
SCHEMBL11070000 0.91 SPHK1 (0.43) SPHK1RAB9AMAPTHSD17B10MEN1
SCHEMBL11068417 0.91 ALDH1A1 (0.36) SPHK1RAB9AMAPTHSD17B10MEN1
SCHEMBL11068421 0.91 ALDH1A1 (0.36) SPHK1RAB9AMAPTHSD17B10MEN1
SCHEMBL11069649 0.88 SPHK1 (0.40) SPHK1RAB9AMAPTHSD17B10MEN1
SCHEMBL11069662 0.88 SPHK1 (0.40) SPHK1RAB9AMAPTHSD17B10MEN1
SCHEMBL11066526 0.87 RAB9A (0.41) SPHK1RAB9AMAPTHSD17B10MEN1

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-4462923-A Disubstituted pyrimidines HOFFMANN-LA ROCHE INC. (US) 1984-07-31 US disclosed