SCHEMBL11769597

SCHEMBL11769597

C=CCNC(=O)Nc1cc(Cl)c(Sc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ PDE7A Q13946 8/20 0.44
▸ PDE4B Q07343 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ PDE7B Q9NP56 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ HTT P42858 4/20 0.41
▸ POLB P06746 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39

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
SCHEMBL11768552 0.87 CNR1 (0.45) LMNAMAPTALDH1A1CA12CA1
SCHEMBL11768957 0.86 LMNA (0.49) LMNAMAPTALDH1A1PDE7APDE4B
SCHEMBL11773712 0.84 LMNA (0.48) LMNAMAPTALDH1A1PDE7APDE4B
SCHEMBL11769287 0.82 LMNA (0.51) LMNAMAPTALDH1A1PDE7APDE4B
SCHEMBL11770558 0.80 LMNA (0.48) LMNAMAPTALDH1A1PDE7APDE4B
SCHEMBL11824796 0.79 KMT2A (0.54) LMNAMAPTALDH1A1PDE7ACA12
SCHEMBL11768353 0.78 MEN1 (0.53) LMNAMAPTALDH1A1CNR1HTT
SCHEMBL9567011 0.77 MEN1 (0.67) LMNAMAPTALDH1A1CNR1HTT
SCHEMBL11768339 0.76 MAPT (0.48) LMNAMAPTALDH1A1PDE7APDE4B
SCHEMBL11769901 0.75 PDE7A (0.56) LMNAMAPTALDH1A1PDE7APDE4B

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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