SCHEMBL11768631

SCHEMBL11768631

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 13/20 0.60
▸ KMT2A Q03164 13/20 0.60
▸ MAPT P10636 6/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ HTT P42858 3/20 0.60
▸ HPGD P15428 3/20 0.60
▸ MAPK1 P28482 3/20 0.60
▸ LMNA P02545 3/20 0.60
▸ ALDH1A1 P00352 4/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ POLB P06746 3/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ MYOC Q99972 1/20 0.51
▸ PABPC1 P11940 1/20 0.49
▸ CNR1 P21554 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
SCHEMBL11768979 0.88 HTT (0.58) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL11831621 0.86 MEN1 (0.72) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL11769985 0.85 HTT (0.56) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL11768427 0.85 MEN1 (0.67) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6939392 0.83 MEN1 (0.79) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL11770038 0.83 KMT2A (0.68) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL11766882 0.81 KMT2A (0.65) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL11768264 0.81 MEN1 (0.69) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL11768574 0.81 MEN1 (0.58) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL11806188 0.80 MEN1 (0.72) MEN1KMT2AMAPTSMN1; SMN2HTT

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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