SCHEMBL11766345

SCHEMBL11766345

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.56
▸ MEN1 O00255 7/20 0.56
▸ MAPT P10636 5/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.56
▸ HTT P42858 4/20 0.56
▸ LMNA P02545 4/20 0.56
▸ HPGD P15428 3/20 0.56
▸ ALDH1A1 P00352 5/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ POLB P06746 2/20 0.54
▸ MAPK1 P28482 1/20 0.53
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ ACHE P22303 1/20 0.49
▸ CNR1 P21554 1/20 0.48
▸ 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
SCHEMBL11769985 0.89 HTT (0.56) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL11766882 0.87 KMT2A (0.65) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL11770038 0.85 KMT2A (0.68) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL11768979 0.84 HTT (0.58) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL11768427 0.82 MEN1 (0.67) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL11768631 0.79 MEN1 (0.60) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL6939392 0.78 MEN1 (0.79) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL9770215 0.77 ALDH1A1 (0.65) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL6275597 0.77 HTT (0.58) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL6907398 0.76 POLB (0.72) KMT2AMEN1MAPTSMN1; 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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