SCHEMBL9406129

SCHEMBL9406129

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.46
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 4/20 0.38
STAT3 P40763 1/20 0.38
ATM Q13315 1/20 0.38
TP53 P04637 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
CYP3A4 P08684 3/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 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
SCHEMBL9405773 0.99 RARB (0.47) RARBRAB9ASMN1; SMN2MAPTMEN1
SCHEMBL9406402 0.99 RARB (0.47) RARBRAB9ASMN1; SMN2MAPTMEN1
SCHEMBL9405854 0.99 RARB (0.47) RARBRAB9ASMN1; SMN2MAPTMEN1
SCHEMBL9406277 0.99 RARB (0.47) RARBRAB9ASMN1; SMN2MAPTMEN1
SCHEMBL9405691 0.94 RARB (0.46) RARBRAB9ASMN1; SMN2MAPTMEN1
SCHEMBL9406196 0.92 RARB (0.49) RARBRAB9ASMN1; SMN2MAPTMEN1
SCHEMBL9406333 0.90 RARB (0.54) RARBRAB9ASMN1; SMN2MAPTMEN1
SCHEMBL7513581 0.89 RARB (0.40) RARBRAB9ASMN1; SMN2MAPTMEN1
SCHEMBL7511473 0.89 RARB (0.40) RARBRAB9ASMN1; SMN2MAPTMEN1
SCHEMBL7521022 0.89 RARB (0.40) RARBRAB9ASMN1; SMN2MAPTMEN1

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