SCHEMBL11768552

SCHEMBL11768552

C=CCNC(=O)Nc1cc(Cl)c(Sc2ccc([N+](=O)[O-])cc2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.45
▸ HTT P42858 7/20 0.45
▸ POLB P06746 1/20 0.45
▸ MEN1 O00255 9/20 0.44
▸ KMT2A Q03164 9/20 0.44
▸ MAPT P10636 8/20 0.44
▸ LMNA P02545 4/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CCR6 P51684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TGM2 P21980 1/20 0.42
▸ CA12 O43570 1/20 0.40

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
SCHEMBL11769597 0.87 LMNA (0.46) CNR1HTTPOLBMEN1KMT2A
SCHEMBL11768574 0.86 MEN1 (0.58) CNR1HTTPOLBMEN1KMT2A
SCHEMBL11771850 0.85 MEN1 (0.49) CNR1HTTPOLBMEN1KMT2A
SCHEMBL11773871 0.83 KMT2A (0.50) CNR1HTTPOLBMEN1KMT2A
SCHEMBL11768807 0.82 MEN1 (0.49) HTTPOLBMEN1KMT2AMAPT
SCHEMBL9567011 0.81 MEN1 (0.67) CNR1HTTPOLBMEN1KMT2A
SCHEMBL11766845 0.79 HPGD (0.46) CNR1HTTPOLBMEN1KMT2A
SCHEMBL11772426 0.79 KMT2A (0.46) HTTPOLBMEN1KMT2AMAPT
SCHEMBL11773528 0.79 KMT2A (0.49) CNR1HTTPOLBMEN1KMT2A
SCHEMBL11824796 0.77 KMT2A (0.54) HTTMEN1KMT2AMAPTLMNA

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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