SCHEMBL10606342

SCHEMBL10606342

CCCCCCCc1cnc(-c2ccc(CCCCCC)c(F)c2)nc1.CCCCCCc1cnc(-c2ccc(CCCCCC)c(F)c2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.56
RAB9A P51151 7/20 0.52
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 2/20 0.52
USP2 O75604 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
RARA P10276 2/20 0.45
RARG P13631 1/20 0.45
NPC1 O15118 5/20 0.44
STAT3 P40763 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 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
SCHEMBL10554650 1.00 RARB (0.56) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL10563354 1.00 RARB (0.56) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL10560171 1.00 RARB (0.56) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL10557647 1.00 RARB (0.56) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL10559342 1.00 RARB (0.56) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL10558682 1.00 RARB (0.56) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL10556976 1.00 RARB (0.56) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL10560949 1.00 RARB (0.56) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL10558513 1.00 RARB (0.56) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL10556054 1.00 RARB (0.56) RARBRAB9AMAPTSMN1; SMN2MEN1

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-0126949-B1 FLUORINE-CONTAINING PYRIMIDINE DERIVATIVES MERCK PATENT GmbH (DE) 1989-09-27 EP disclosed