SCHEMBL9405682

SCHEMBL9405682

CCCCCCCc1cnc(-c2ccc(-c3ccc(CCCCCC)c(F)c3F)cc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.55
RAB9A P51151 6/20 0.52
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 4/20 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
NPC1 O15118 4/20 0.41
STAT3 P40763 1/20 0.41
ATM Q13315 1/20 0.41
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CASP3 P42574 1/20 0.38

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
SCHEMBL9406131 1.00 RARB (0.55) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9342525 1.00 RARB (0.55) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9406137 1.00 RARB (0.55) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9406333 0.99 RARB (0.54) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9405879 0.96 RARB (0.54) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9405972 0.94 RARB (0.57) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9341872 0.91 MAPT (0.58) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9406277 0.89 RARB (0.47) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9405854 0.89 RARB (0.47) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9405773 0.89 RARB (0.47) 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
US-5279764-A Dihalogenobenzene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 US disclosed