SCHEMBL9875173

SCHEMBL9875173

CCCCc1ccc(CCc2ccc(F)nc2)cc1.CCCc1ccc(CCc2ccc(F)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 5/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
PKM P14618 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 2/20 0.49
CYP3A4 P08684 2/20 0.49
HIF1A Q16665 2/20 0.49
CYP1A2 P05177 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
THPO P40225 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
RAB9A P51151 8/20 0.46
SMN1; SMN2 Q16637 8/20 0.46

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
SCHEMBL9154293 0.96 NFKB1 (0.51) NFKB1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL9766704 0.95 RAB9A (0.50) NFKB1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL9156125 0.93 SMN1; SMN2 (0.46) NFKB1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL9152788 0.92 RAB9A (0.53) NFKB1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL9154167 0.91 RAB9A (0.49) NFKB1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL9766608 0.91 RAB9A (0.45) NFKB1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL9154233 0.90 MAPT (0.51) NFKB1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL10282267 0.89 SMN1; SMN2 (0.49) NFKB1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL9156732 0.88 RAB9A (0.50) NFKB1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL10721748 0.87 RAB9A (0.51) NFKB1L3MBTL1MAPTALDH1A1KDM4E

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
WO-1991004248-A1 PYRIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-04 WO disclosed