SCHEMBL7101689

SCHEMBL7101689

Nc1ccc(C(F)(F)F)cc1Nc1ccc(CCCl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
GFER P55789 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TAAR1 Q96RJ0 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.37
MAPK1 P28482 1/20 0.36
MAOB P27338 1/20 0.36
MCHR1 Q99705 2/20 0.35
CNR1 P21554 1/20 0.35
FFAR1 O14842 1/20 0.35
YAP1 P46937 1/20 0.34
TEAD4 Q15561 1/20 0.34
TEAD2 Q15562 1/20 0.34

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
SCHEMBL1627282 0.78 IDO1 (0.38) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL7099703 0.78 IDO1 (0.38) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL5998737 0.75 MAPT (0.62) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL1624772 0.75 KDM4E (0.48) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL3636537 0.73 TAAR1 (0.61) ALDH1A1KDM4ETAAR1MAOBCNR1
SCHEMBL15638573 0.72 ALDH1A1 (0.50) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL11390047 0.71 ALDH1A1 (0.81) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL11397234 0.69 MAPT (0.71) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL29824523 0.67 MAPT (0.68) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL15875869 0.67 MAPT (0.68) ALDH1A1GAAMAPTKDM4EMEN1

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-1326864-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
WO-2002032900-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed