SCHEMBL11015017

SCHEMBL11015017

CCCCCCCCCc1cnc(-c2ccc(CCCCC)cc2)nc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
RAB9A P51151 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
MAPT P10636 3/20 0.61
HSD17B10 Q99714 3/20 0.61
KDM4E B2RXH2 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
USP2 O75604 1/20 0.61
GAA P10253 1/20 0.61
HPGD P15428 1/20 0.61
RARB P10826 6/20 0.50
SPHK1 Q9NYA1 1/20 0.46
RARA P10276 1/20 0.46
MTOR P42345 1/20 0.46
NPC1 O15118 3/20 0.45
STAT3 P40763 1/20 0.45
ATM Q13315 1/20 0.45
HSD11B1 P28845 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL11017647 1.00 ALDH1A1 (0.61) ALDH1A1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL11018932 1.00 ALDH1A1 (0.61) ALDH1A1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL11016974 1.00 ALDH1A1 (0.61) ALDH1A1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL11016594 1.00 ALDH1A1 (0.61) ALDH1A1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL11016694 0.99 RAB9A (0.58) ALDH1A1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL11014658 0.97 RAB9A (0.57) ALDH1A1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL11017599 0.96 ALDH1A1 (0.56) ALDH1A1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL11019915 0.96 ALDH1A1 (0.56) ALDH1A1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL11019278 0.96 ALDH1A1 (0.56) ALDH1A1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL11014641 0.96 ALDH1A1 (0.56) ALDH1A1RAB9ASMN1; SMN2MAPTHSD17B10

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-0158137-A2 Pyrimidines MERCK PATENT GmbH (DE) 1985-10-16 EP disclosed