SCHEMBL11772020

SCHEMBL11772020

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.46
▸ MAPT P10636 4/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NLRP3 Q96P20 1/20 0.42
▸ KMT2A Q03164 9/20 0.40
▸ MEN1 O00255 7/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK3 Q15120 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SAE1 Q9UBE0 1/20 0.38
▸ UBA2 Q9UBT2 1/20 0.38

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
SCHEMBL11772088 0.87 AR (0.43) ARMAPTLMNATSHRHTT
SCHEMBL11767333 0.85 MAPT (0.48) ARMAPTLMNATSHRHTT
SCHEMBL11767547 0.85 MAPT (0.47) MAPTLMNATSHRHTTNLRP3
SCHEMBL11768903 0.83 ALDH1A1 (0.51) MAPTLMNAHTTNLRP3KMT2A
SCHEMBL11775712 0.79 ALDH1A1 (0.44) MAPTLMNAHTTNLRP3KMT2A
SCHEMBL11770271 0.78 MAPT (0.52) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL11769287 0.77 LMNA (0.51) MAPTLMNAHTTKMT2AMEN1
SCHEMBL11769777 0.76 ALDH1A1 (0.49) MAPTLMNAHTTNLRP3KMT2A
SCHEMBL11766298 0.76 ALDH1A1 (0.41) MAPTTSHRHTTKMT2AMEN1
SCHEMBL11768339 0.75 MAPT (0.48) MAPTLMNAHTTKMT2AMEN1

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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