SCHEMBL11768807

SCHEMBL11768807

CNC(=O)Nc1cc(Cl)c(Sc2ccc([N+](=O)[O-])cc2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 12/20 0.49
▸ KMT2A Q03164 12/20 0.49
▸ MAPT P10636 10/20 0.49
▸ SMN1; SMN2 Q16637 6/20 0.49
▸ HTT P42858 5/20 0.49
▸ HPGD P15428 3/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ LMNA P02545 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ XBP1 P17861 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CCR6 P51684 1/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HTR1E P28566 1/20 0.42
▸ S1PR3 Q99500 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42

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
SCHEMBL11770462 0.90 MAPT (0.49) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL11771850 0.87 MEN1 (0.49) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL11772426 0.87 KMT2A (0.46) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL11769287 0.85 LMNA (0.51) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL11773276 0.85 PDE7A (0.53) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL11773871 0.85 KMT2A (0.50) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL11772194 0.84 ALDH1A1 (0.58) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL11768883 0.83 MAPT (0.45) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL11768264 0.83 MEN1 (0.69) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL11772240 0.82 ALDH1A1 (0.44) MEN1KMT2AMAPTSMN1; SMN2HTT

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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