SCHEMBL11767186

SCHEMBL11767186

CCCCNC(=O)Nc1cc(C)c(Sc2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.55
▸ ALDH1A1 P00352 4/20 0.49
▸ MAPT P10636 3/20 0.49
▸ EPHX1 P07099 4/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ CNR1 P21554 3/20 0.44
▸ SLC6A3 Q01959 1/20 0.42
▸ HTT P42858 1/20 0.41

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
SCHEMBL11770865 0.89 CNR1 (0.42) EPHX2MAPTEPHX1MEN1KMT2A
SCHEMBL11772552 0.87 MEN1 (0.51) EPHX2ALDH1A1MAPTEPHX1MEN1
SCHEMBL11768334 0.86 KMT2A (0.59) EPHX2ALDH1A1MAPTEPHX1MEN1
SCHEMBL11766845 0.82 HPGD (0.46) EPHX2EPHX1MEN1KMT2ACYP2C19
SCHEMBL10585478 0.76 CNR1 (0.69) EPHX2ALDH1A1MAPTEPHX1KMT2A
SCHEMBL11770941 0.76 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2ACYP2C9
SCHEMBL11769994 0.74 KMT2A (0.47) EPHX2ALDH1A1MAPTMEN1KMT2A
SCHEMBL11766875 0.74 KMT2A (0.50) EPHX2ALDH1A1MAPTEPHX1MEN1
SCHEMBL11770239 0.74 MEN1 (0.63) EPHX2ALDH1A1MAPTMEN1KMT2A
SCHEMBL11772194 0.74 ALDH1A1 (0.58) EPHX2ALDH1A1MAPTEPHX1MEN1

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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