SCHEMBL1397642

SCHEMBL1397642

Cc1ccc2cc(CN(CCc3ccc(Cl)c(Cl)c3)C(=O)c3cc(Cl)cc4cc[nH]c34)oc2c1C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL1397683 0.88 MAPT (0.33) MAPTALDH1A1HSD17B10TP53
SCHEMBL1397538 0.87 THRB (0.32) MAPTTP53
SCHEMBL1397686 0.86 TP53 (0.35) MEN1KMT2AMAPTALDH1A1TP53
SCHEMBL1397655 0.85 MAPT (0.35) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL1397802 0.85 MAOB (0.36) MAPTTP53
SCHEMBL1397640 0.83 IKBKB (0.38) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL1397443 0.83 OPRM1 (0.31) TSHR
SCHEMBL1397731 0.83 TP53 (0.32) MAPTTP53
SCHEMBL1397462 0.81 CCR2 (0.35)
SCHEMBL1397663 0.77 C5AR1 (0.34) MEN1KMT2AMAPTALDH1A1TP53

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-2007726-B1 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-02 EP disclosed