SCHEMBL11769901

SCHEMBL11769901

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 4/20 0.56
▸ MAPT P10636 10/20 0.53
▸ LMNA P02545 5/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ PDE4B Q07343 1/20 0.53
▸ PDE4D Q08499 1/20 0.53
▸ PDE7B Q9NP56 1/20 0.53
▸ KMT2A Q03164 7/20 0.50
▸ MEN1 O00255 6/20 0.50
▸ HTT P42858 5/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ HPGD P15428 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.49
▸ POLB P06746 3/20 0.49
▸ MAPK1 P28482 1/20 0.47
▸ CNR1 P21554 1/20 0.46
▸ GAA P10253 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MCL1 Q07820 1/20 0.44

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
SCHEMBL11770162 0.93 MAPT (0.50) PDE7AMAPTLMNAALDH1A1PDE4B
SCHEMBL11766209 0.87 PDE7A (0.60) PDE7AMAPTLMNAALDH1A1PDE4B
SCHEMBL11768957 0.87 LMNA (0.49) PDE7AMAPTLMNAALDH1A1PDE4B
SCHEMBL11773528 0.86 KMT2A (0.49) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL11770775 0.85 KMT2A (0.53) PDE7AMAPTLMNAALDH1A1PDE4B
SCHEMBL11768427 0.84 MEN1 (0.67) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL11769688 0.83 KMT2A (0.46) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL11771850 0.82 MEN1 (0.49) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL11773276 0.81 PDE7A (0.53) PDE7AMAPTLMNAALDH1A1PDE4B
SCHEMBL10804640 0.79 POLB (0.74) MAPTLMNAALDH1A1KMT2AMEN1

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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