SCHEMBL11772507

SCHEMBL11772507

C=CCNC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.60
▸ MEN1 O00255 5/20 0.56
▸ POLB P06746 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ TGM2 P21980 1/20 0.54
▸ CA1 P00915 5/20 0.53
▸ CA2 P00918 5/20 0.53
▸ CA9 Q16790 5/20 0.53
▸ CA12 O43570 4/20 0.53
▸ CA4 P22748 1/20 0.53
▸ CA7 P43166 1/20 0.53
▸ MAPT P10636 2/20 0.49
▸ CNR1 P21554 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ MYOC Q99972 1/20 0.49
▸ FAAH O00519 1/20 0.48
▸ MGLL Q99685 1/20 0.48

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
SCHEMBL9567011 0.92 MEN1 (0.67) KMT2AMEN1POLBHTTTGM2
SCHEMBL11768574 0.84 MEN1 (0.58) KMT2AMEN1POLBHTTTGM2
SCHEMBL11839996 0.84 MEN1 (0.72) KMT2AMEN1POLBHTTTGM2
SCHEMBL11770425 0.84 KMT2A (0.68) KMT2AMEN1POLBHTTCA1
SCHEMBL11770075 0.82 KMT2A (0.64) KMT2AMEN1POLBHTTCA1
SCHEMBL9461541 0.80 MAPT (0.55) KMT2AMEN1POLBHTTTGM2
SCHEMBL11768817 0.79 KMT2A (0.73) KMT2AMEN1POLBCA1CA2
SCHEMBL25840771 0.76 KMT2A (0.65) KMT2AMEN1POLBHTTCA1
SCHEMBL3891683 0.76 KMT2A (1.00) KMT2AMEN1POLBHTTCA1
SCHEMBL11772059 0.76 KMT2A (0.68) KMT2AMEN1POLBHTTCA1

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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