SCHEMBL11768264

SCHEMBL11768264

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.69
KMT2A Q03164 10/20 0.69
MAPT P10636 6/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
HPGD P15428 3/20 0.69
HTT P42858 3/20 0.69
MAPK1 P28482 3/20 0.69
LMNA P02545 3/20 0.64
ALDH1A1 P00352 4/20 0.63
NPSR1 Q6W5P4 2/20 0.63
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 1/20 0.55
MYOC Q99972 1/20 0.55
PTGES O14684 1/20 0.54
GAA P10253 1/20 0.51
POLB P06746 1/20 0.51
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL6939392 0.91 MEN1 (0.79) MEN1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL9285911 0.91 KMT2A (0.79) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6936821 0.87 MEN1 (0.68) MEN1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL3902453 0.84 KMT2A (0.73) MEN1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL11768427 0.84 MEN1 (0.67) MEN1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL11806188 0.84 MEN1 (0.72) MEN1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL4236718 0.84 MEN1 (0.64) MEN1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL11769655 0.84 MEN1 (0.50) MEN1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL11767885 0.84 ALDH1A1 (0.82) MEN1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL6943802 0.84 MEN1 (0.68) MEN1KMT2AMAPTSMN1; SMN2HPGD

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