SCHEMBL11770983

SCHEMBL11770983

O=c1[nH]c(=O)n(CCCc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 4/20 0.48
▸ SIGMAR1 Q99720 2/20 0.47
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KCNH2 Q12809 3/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ SLC29A1 Q99808 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
SCHEMBL11768509 0.74 MAPT (0.57) MAPTALDH1A1GAAPKMMAPK1
SCHEMBL11776451 0.71 MEN1 (0.46) MAPTALDH1A1GAAPKMMAPK1
SCHEMBL11377707 0.70 KCNH2 (0.50) KCNJ1SIGMAR1MAPTALDH1A1KCNH2
SCHEMBL18913824 0.69 TSHR (0.69) KCNJ1SIGMAR1ALDH1A1KCNH2POLB
SCHEMBL30758863 0.69 TSHR (0.69) KCNJ1SIGMAR1ALDH1A1KCNH2POLB
SCHEMBL4163474 0.69 MAPT (0.79) MAPTALDH1A1GAAPKMMAPK1
SCHEMBL3328543 0.69 MAPT (0.79) MAPTALDH1A1GAAPKMMAPK1
SCHEMBL11766201 0.68 MAPT (0.47) MAPTALDH1A1GAAPKMMAPK1
SCHEMBL11767217 0.68 MAPT (0.49) MAPTALDH1A1GAAPKMMAPK1
SCHEMBL8934655 0.67 MAPT (0.76) MAPTALDH1A1GAAPKMMAPK1

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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