SCHEMBL9406337

SCHEMBL9406337

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.45
RAB9A P51151 4/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 2/20 0.37
STAT3 P40763 1/20 0.37
ATM Q13315 1/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL9548148 1.00 RARB (0.45) RARBRAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL9346808 0.93 RARB (0.44) RARBRAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL9341889 0.93 RARB (0.44) RARBRAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL9345797 0.93 RARB (0.44) RARBRAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL4811839 0.93 RARB (0.44) RARBRAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL9343386 0.93 RARB (0.44) RARBRAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL9343393 0.93 RARB (0.44) RARBRAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL9346749 0.93 RARB (0.44) RARBRAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL4813397 0.93 RARB (0.44) RARBRAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL9405689 0.93 RARB (0.44) RARBRAB9AMAPTL3MBTL1SMN1; SMN2

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