SCHEMBL11773871

SCHEMBL11773871

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.50
▸ MEN1 O00255 7/20 0.50
▸ MAPT P10636 5/20 0.50
▸ HTT P42858 4/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ LMNA P02545 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ CNR1 P21554 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ EPHX2 P34913 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CCR6 P51684 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
SCHEMBL11771850 0.91 MEN1 (0.49) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11773712 0.87 LMNA (0.48) KMT2AMEN1MAPTHTTLMNA
SCHEMBL11770775 0.87 KMT2A (0.53) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11768334 0.86 KMT2A (0.59) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL11769994 0.85 KMT2A (0.47) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11768807 0.85 MEN1 (0.49) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11770038 0.85 KMT2A (0.68) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11768552 0.83 CNR1 (0.45) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11768353 0.83 MEN1 (0.53) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11773528 0.82 KMT2A (0.49) 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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