SCHEMBL11787752

SCHEMBL11787752

Clc1cc(Cl)c2cc(Nc3ccnnn3)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.34
▸ HTR3E A5X5Y0 1/20 0.34
▸ HTR3B O95264 1/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ HTR3D Q70Z44 1/20 0.34
▸ HTR3C Q8WXA8 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ DOT1L Q8TEK3 1/20 0.33
▸ POLA1 P09884 1/20 0.33
▸ KDR P35968 2/20 0.31
▸ KCNN3 Q9UGI6 1/20 0.31
▸ MAPKAPK2 P49137 1/20 0.31
▸ KCNH2 Q12809 1/20 0.30
▸ SCN9A Q15858 1/20 0.30
▸ AGPAT2 O15120 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 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
SCHEMBL11796381 0.71 RAPGEF4 (0.30) —
SCHEMBL10948448 0.68 GOT1 (0.31) —
SCHEMBL11874618 0.68 BUB1 (0.36) MAPTHTR3EHTR3BHTR3AROCK1
SCHEMBL29134217 0.66 ALDH1A1 (0.50) MAPTROCK1MEN1KMT2ANPC1
SCHEMBL27831600 0.66 GOT1 (0.30) —
SCHEMBL1943629 0.66 ALDH1A1 (0.50) MAPTROCK1MEN1KMT2ANPC1
SCHEMBL5590774 0.65 MAPT (0.35) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL5590772 0.65 MAPT (0.35) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL10480027 0.65 NFKB1 (0.44) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL20356039 0.64 CYP2A6 (0.48) CYP3A4

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
US-3931165-A INSECTICIDES, HERBICIDES BARER SOL J 1976-01-06 — — US disclosed
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