SCHEMBL9405773

SCHEMBL9405773

CCCCCCCCCc1cnc(-c2ccc(CCCCCCCC)c(F)c2F)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.47
MAPT P10636 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 2/20 0.39
STAT3 P40763 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX5 P09917 1/20 0.39
TYR P14679 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
SCHEMBL9406277 1.00 RARB (0.47) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9405854 1.00 RARB (0.47) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9406402 1.00 RARB (0.47) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9406129 0.99 RARB (0.46) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9405691 0.96 RARB (0.46) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9406196 0.93 RARB (0.49) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL7513581 0.90 RARB (0.40) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL7511473 0.90 RARB (0.40) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL7521022 0.90 RARB (0.40) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL7520463 0.90 RARB (0.40) RARBMAPTRAB9ASMN1; 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