SCHEMBL11771565

SCHEMBL11771565

CCCNC(=O)Nc1ccc(Sc2c(C)cc([N+](=O)[O-])cc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.51
▸ MEN1 O00255 8/20 0.51
▸ MAPT P10636 7/20 0.51
▸ HTT P42858 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ POLB P06746 2/20 0.49
▸ ALDH1A1 P00352 4/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MAPK1 P28482 2/20 0.45
▸ CNR1 P21554 1/20 0.44

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
SCHEMBL11769994 0.93 KMT2A (0.47) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11770038 0.86 KMT2A (0.68) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11769655 0.84 MEN1 (0.50) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11769688 0.84 KMT2A (0.46) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11773871 0.81 KMT2A (0.50) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL6907398 0.80 POLB (0.72) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11772552 0.79 MEN1 (0.51) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL11766882 0.79 KMT2A (0.65) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11773528 0.78 KMT2A (0.49) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11768883 0.77 MAPT (0.45) 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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