SCHEMBL11768574

SCHEMBL11768574

C=CCNC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.58
▸ KMT2A Q03164 10/20 0.58
▸ MAPT P10636 7/20 0.58
▸ HTT P42858 3/20 0.58
▸ HPGD P15428 3/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ MAPK1 P28482 3/20 0.58
▸ LMNA P02545 3/20 0.57
▸ ALDH1A1 P00352 4/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ POLB P06746 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ TGM2 P21980 1/20 0.54
▸ CNR1 P21554 1/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ MYOC Q99972 1/20 0.49
▸ NAMPT P43490 1/20 0.47

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) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL11768552 0.86 CNR1 (0.45) MEN1KMT2AMAPTHTTHPGD
SCHEMBL6939392 0.84 MEN1 (0.79) MEN1KMT2AMAPTHTTHPGD
SCHEMBL11772507 0.84 KMT2A (0.60) MEN1KMT2AMAPTHTTMAPK1
SCHEMBL11839996 0.84 MEN1 (0.72) MEN1KMT2AMAPTHTTMAPK1
SCHEMBL11768427 0.84 MEN1 (0.67) MEN1KMT2AMAPTHTTHPGD
SCHEMBL11770038 0.82 KMT2A (0.68) MEN1KMT2AMAPTHTTHPGD
SCHEMBL11768631 0.81 MEN1 (0.60) MEN1KMT2AMAPTHTTHPGD
SCHEMBL9461541 0.80 MAPT (0.55) MEN1KMT2AMAPTHTTHPGD
SCHEMBL11766882 0.80 KMT2A (0.65) MEN1KMT2AMAPTHTTHPGD

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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