SCHEMBL10558786

SCHEMBL10558786

CCCCCCCCc1cnc(-c2ccc(-c3ccc(CCCCCCC)cc3)c(F)c2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.62
RAB9A P51151 5/20 0.57
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 2/20 0.57
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 1/20 0.57
USP2 O75604 1/20 0.57
GAA P10253 1/20 0.57
HPGD P15428 1/20 0.57
HSD17B10 Q99714 1/20 0.57
RARA P10276 2/20 0.49
RARG P13631 1/20 0.49
NPC1 O15118 3/20 0.45
STAT3 P40763 1/20 0.45
ATM Q13315 1/20 0.45
HTR2A P28223 1/20 0.43
MTOR P42345 1/20 0.43
NFKB1 P19838 2/20 0.42

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
SCHEMBL10559317 1.00 RARB (0.62) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL10558913 1.00 RARB (0.62) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL10558709 1.00 RARB (0.62) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL10556838 1.00 RARB (0.62) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL10557415 1.00 RARB (0.62) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL10558679 1.00 RARB (0.62) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL10558979 1.00 RARB (0.62) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL10555612 1.00 RARB (0.62) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL10558887 1.00 RARB (0.62) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL10560565 1.00 RARB (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4812258-A LIQUID CRYSTAL DIELECTRICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-03-14 US disclosed
EP-0126949-A2 Fluorine-containing pyrimidine derivatives MERCK PATENT GmbH (DE) 1984-12-05 EP disclosed