SCHEMBL11768422

SCHEMBL11768422

CNC(=O)Nc1cc(C)c(Sc2ccc(Cl)cc2Cl)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ PYGL P06737 2/20 0.46
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ITGB2 P05107 8/20 0.40
▸ ICAM1 P05362 8/20 0.40
▸ ITGAL P20701 8/20 0.40
▸ AGPAT2 O15120 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ USP7 Q93009 2/20 0.37
▸ USP47 Q96K76 1/20 0.36

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
SCHEMBL11771440 0.89 ALDH1A1 (0.51) ALDH1A1PYGLMEN1KMT2AMAPT
SCHEMBL11768903 0.89 ALDH1A1 (0.51) ALDH1A1PYGLMEN1KMT2AMAPT
SCHEMBL11769777 0.84 ALDH1A1 (0.49) ALDH1A1PYGLMEN1KMT2AMAPT
SCHEMBL11769064 0.84 ALDH1A1 (0.49) ALDH1A1PYGLMEN1KMT2AMAPT
SCHEMBL11768277 0.83 ALDH1A1 (0.58) ALDH1A1PYGLMEN1KMT2AMAPT
SCHEMBL11770941 0.82 ALDH1A1 (0.57) ALDH1A1PYGLMEN1KMT2AMAPT
SCHEMBL11768236 0.76 ALDH1A1 (0.46) ALDH1A1PYGLMEN1KMT2AMAPT
SCHEMBL11766298 0.76 ALDH1A1 (0.41) ALDH1A1PYGLMEN1KMT2AMAPT
SCHEMBL11770943 0.75 TSHR (0.46) ALDH1A1MAPTNPC1RAB9A
SCHEMBL11772753 0.74 ALDH1A1 (0.41) ALDH1A1PYGLMEN1KMT2AMAPT

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
US-3970752-A Coccidiocidal compositions utilizing 1-phenyl-substituted 1,3,5-triazine BAYER AKTIENGESELLSCHAFT (DT) 1976-07-20 — — US disclosed
US-3948893-A COCCIDIOSIS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 — — US disclosed
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