SCHEMBL11766845

SCHEMBL11766845

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ CNR1 P21554 5/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ EPHX2 P34913 1/20 0.39

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 0.86 CNR1 (0.42) LMNAHTTCNR1NPC1RAB9A
SCHEMBL11767186 0.82 EPHX2 (0.55) HTTCNR1CYP2C19MEN1EPHX1
SCHEMBL11768552 0.79 CNR1 (0.45) HPGDLMNAHTTCNR1RAB9A
SCHEMBL11772552 0.78 MEN1 (0.51) LMNACNR1NPC1RAB9ACYP3A4
SCHEMBL11768334 0.76 KMT2A (0.59) HSD17B10LMNACNR1POLBCYP3A4
SCHEMBL11770941 0.76 ALDH1A1 (0.57) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL11772194 0.74 ALDH1A1 (0.58) LMNAHTTNPC1RAB9ACYP1A2
SCHEMBL10485648 0.72 RAB9A (0.60) HPGDLMNAHTTCNR1RAB9A
SCHEMBL11769688 0.70 KMT2A (0.46) HPGDLMNAHTTCNR1NPC1
SCHEMBL11829735 0.69 CNR1 (0.51) LMNAHTTCNR1NPC1RAB9A

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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