SCHEMBL11766209

SCHEMBL11766209

CNC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 6/20 0.60
▸ PDE4B Q07343 1/20 0.56
▸ PDE4D Q08499 1/20 0.56
▸ PDE7B Q9NP56 1/20 0.56
▸ MAPT P10636 9/20 0.56
▸ LMNA P02545 5/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ KMT2A Q03164 7/20 0.50
▸ MEN1 O00255 6/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ HTT P42858 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ GAA P10253 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL11773276 0.93 PDE7A (0.53) PDE7APDE4BPDE4DPDE7BMAPT
SCHEMBL11769901 0.87 PDE7A (0.56) PDE7APDE4BPDE4DPDE7BMAPT
SCHEMBL11769287 0.86 LMNA (0.51) PDE7APDE4BPDE4DPDE7BMAPT
SCHEMBL11770462 0.85 MAPT (0.49) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL11768339 0.83 MAPT (0.48) PDE7APDE4BPDE4DPDE7BMAPT
SCHEMBL11768264 0.83 MEN1 (0.69) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL11768883 0.81 MAPT (0.45) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL11768807 0.81 MEN1 (0.49) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL11770162 0.81 MAPT (0.50) PDE7APDE4BPDE4DPDE7BMAPT
SCHEMBL11770775 0.79 KMT2A (0.53) PDE7APDE4BPDE4DPDE7BMAPT

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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