SCHEMBL9766653

SCHEMBL9766653

CCCC1CCC(c2ccc(-c3ccc(F)nc3F)c(F)c2)CC1.CCCCC1CCC(c2ccc(-c3ccc(F)nc3F)c(F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.38
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.37
MAPK1 P28482 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACP1 P24666 1/20 0.32
TP53 P04637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9766658 1.00 CYP2C9 (0.38) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL9153733 0.98 MEN1 (0.35) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL9153725 0.98 MEN1 (0.35) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL9158477 0.95 CYP2C9 (0.41) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL9158483 0.95 CYP2C9 (0.41) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL9158646 0.94 MAPT (0.37) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL9158643 0.94 MAPT (0.37) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL9156409 0.93 MAPT (0.39) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL9156400 0.93 MAPT (0.39) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL11114552 0.87 CYP2C9 (0.41) CYP2C9MAPTMEN1MAPK1KMT2A

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
EP-0445248-A1 PYRIDINE DERIVATIVES. MERCK PATENT GMBH (DE) 1991-09-11 EP disclosed