SCHEMBL11769688

SCHEMBL11769688

CCNC(=O)Nc1ccc(Sc2c(C)cc([N+](=O)[O-])cc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.46
▸ MEN1 O00255 9/20 0.46
▸ MAPT P10636 9/20 0.46
▸ HTT P42858 5/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ LMNA P02545 4/20 0.46
▸ HPGD P15428 3/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ POLB P06746 2/20 0.44
▸ MAPK1 P28482 3/20 0.43
▸ TRPV1 Q8NER1 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ PKM P14618 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
SCHEMBL11773528 0.93 KMT2A (0.49) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11769994 0.92 KMT2A (0.47) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11769866 0.88 POLB (0.39) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11768883 0.88 MAPT (0.45) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11771850 0.84 MEN1 (0.49) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11771565 0.84 KMT2A (0.51) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11769901 0.83 PDE7A (0.56) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11770462 0.81 MAPT (0.49) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11768427 0.80 MEN1 (0.67) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL11770865 0.80 CNR1 (0.42) KMT2AMEN1MAPTHTTLMNA

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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