SCHEMBL8774481

SCHEMBL8774481

CCCCc1ccc(CCc2cnc(F)c(F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.42
RAB9A P51151 5/20 0.42

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
SCHEMBL8774784 0.95 RAB9A (0.46) NFKB1L3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL8774239 0.94 HTR2A (0.50) L3MBTL1ALDH1A1KDM4EMEN1MAPT
SCHEMBL8774406 0.91 RARB (0.50) NFKB1L3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL8775147 0.90 NPC1 (0.47) MAPTPKMSMN1; SMN2RAB9ANPC1
SCHEMBL8774178 0.88 CYP3A4 (0.43) L3MBTL1ALDH1A1MEN1MAPTKMT2A
SCHEMBL8774752 0.86 TAAR1 (0.44) L3MBTL1ALDH1A1KDM4EPKMLMNA
SCHEMBL8774337 0.85 RAB9A (0.50) NFKB1L3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL8774858 0.85 MEN1 (0.44) L3MBTL1ALDH1A1MEN1MAPTKMT2A
SCHEMBL8774086 0.84 RARB (0.49) NFKB1L3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL8774800 0.84 RARB (0.49) NFKB1L3MBTL1ALDH1A1KDM4EMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed