SCHEMBL9405972

SCHEMBL9405972

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.57
RAB9A P51151 4/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPC1 O15118 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
STAT3 P40763 1/20 0.40
ATM Q13315 1/20 0.40
MPL P40238 2/20 0.38
RARA P10276 2/20 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
SCHEMBL9405682 0.94 RARB (0.55) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9406137 0.94 RARB (0.55) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9406131 0.94 RARB (0.55) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9342525 0.94 RARB (0.55) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9405879 0.93 RARB (0.54) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9406333 0.93 RARB (0.54) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9406196 0.90 RARB (0.49) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9341872 0.85 MAPT (0.58) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL17551841 0.84 RARB (0.52) RARBMAPTMEN1ALDH1A1KMT2A
SCHEMBL9406114 0.83 RARB (0.52) 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