SCHEMBL11772426

SCHEMBL11772426

CC(C)NC(=O)Nc1cc(Cl)c(Sc2ccc([N+](=O)[O-])cc2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 13/20 0.46
▸ MEN1 O00255 12/20 0.46
▸ MAPT P10636 9/20 0.46
▸ HTT P42858 4/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ LMNA P02545 4/20 0.46
▸ NPSR1 Q6W5P4 4/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 2/20 0.45
▸ HTR1E P28566 1/20 0.45
▸ S1PR3 Q99500 1/20 0.45
▸ XBP1 P17861 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CCR6 P51684 1/20 0.45
▸ POLB P06746 1/20 0.41
▸ MYOC Q99972 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL11768807 0.87 MEN1 (0.49) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11770558 0.86 LMNA (0.48) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL4236718 0.84 MEN1 (0.64) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11771850 0.84 MEN1 (0.49) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11773871 0.82 KMT2A (0.50) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11768552 0.79 CNR1 (0.45) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11770462 0.77 MAPT (0.49) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11839070 0.75 KMT2A (0.57) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11773528 0.74 KMT2A (0.49) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6940443 0.74 MEN1 (0.62) KMT2AMEN1MAPTHTTSMN1; SMN2

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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