SCHEMBL11768883

SCHEMBL11768883

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.45
▸ KMT2A Q03164 12/20 0.45
▸ MEN1 O00255 11/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ MAPK1 P28482 4/20 0.45
▸ HTT P42858 4/20 0.45
▸ HPGD P15428 2/20 0.45
▸ LMNA P02545 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ GAA P10253 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MYOC Q99972 1/20 0.40
▸ IDH1 O75874 1/20 0.40
▸ HTR1E P28566 1/20 0.39

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 0.93 MAPT (0.49) MAPTKMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL11769655 0.92 MEN1 (0.50) MAPTKMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL11769688 0.88 KMT2A (0.46) MAPTKMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL11769994 0.86 KMT2A (0.47) MAPTKMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL11768807 0.83 MEN1 (0.49) MAPTKMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL11766209 0.81 PDE7A (0.60) MAPTKMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL11773528 0.81 KMT2A (0.49) MAPTKMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL11768339 0.79 MAPT (0.48) MAPTKMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL11768264 0.79 MEN1 (0.69) MAPTKMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL11771565 0.77 KMT2A (0.51) MAPTKMT2AMEN1SMN1; SMN2MAPK1

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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