SCHEMBL11780140

SCHEMBL11780140

CNC(=O)Nc1ccc(Oc2ccc(SC(F)(F)F)cc2[N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH3A1 P30838 1/20 0.54
▸ NPSR1 Q6W5P4 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ MAPT P10636 5/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MYOC Q99972 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ HSPB1 P04792 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 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
SCHEMBL11832321 0.81 MEN1 (0.62) ALDH3A1NPSR1ALDH1A1HPGDKMT2A
SCHEMBL11777920 0.81 KIF11 (0.51) NPSR1ALDH1A1KMT2AMEN1MAPT
SCHEMBL11839569 0.80 PDE7A (0.60) ALDH3A1NPSR1ALDH1A1HPGDKMT2A
SCHEMBL10397384 0.79 PGR (0.43) ALDH1A1TP53KDRTEKTRPV1
SCHEMBL4210881 0.78 ESRRA (0.48) NPSR1MAPT
SCHEMBL11784356 0.78 RAF1 (0.42) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL11833629 0.78 PDE7A (0.53) ALDH3A1NPSR1ALDH1A1HPGDKMT2A
SCHEMBL10354931 0.77 PGR (0.41) NPSR1MAPTGAALMNAPOLB
SCHEMBL11833853 0.73 MEN1 (0.55) ALDH3A1NPSR1ALDH1A1KMT2AMEN1
SCHEMBL11780567 0.73 KDR (0.44) ALDH1A1MAPTNPC1RAB9AKDR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3966725-A TREATMENT OF COCCIDIOSIS BAYER AKTIENGESELLSCHAFT (DT) 1976-06-29 — — US disclosed
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