SCHEMBL17505161

SCHEMBL17505161

O=c1cc(Cl)c2cc(CCC[N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.43
▸ LMNA P02545 3/20 0.36
▸ CNR1 P21554 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ GRIN2D O15399 2/20 0.32
▸ GRIN3B O60391 2/20 0.32
▸ GRIN1 Q05586 2/20 0.32
▸ GRIN2A Q12879 2/20 0.32
▸ GRIN2B Q13224 2/20 0.32
▸ GRIN2C Q14957 2/20 0.32
▸ GRIN3A Q8TCU5 2/20 0.32
▸ PARP1 P09874 1/20 0.32

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
SCHEMBL17505168 0.84 ALDH1A1 (0.44) ARLMNACNR1EGFRKMT2A
SCHEMBL17505164 0.81 AR (0.47) ARLMNAKMT2AMEN1HPGD
SCHEMBL17505149 0.77 POLB (0.45) ARRXFP1PKMCA12CA9
SCHEMBL2056384 0.74 AR (0.51) ARLMNAKMT2AMEN1HPGD
SCHEMBL31169728 0.73 CA12 (0.58) ARLMNAKMT2AMEN1PKM
SCHEMBL20183771 0.73 CA12 (0.58) ARLMNAKMT2AMEN1PKM
SCHEMBL17505144 0.72 MAPT (0.36) LMNAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17505194 0.68 GRIN2D (0.38) LMNAKMT2AMEN1HPGDPKM
SCHEMBL11560785 0.68 CYP1A2 (0.44) LMNACNR1KMT2AMEN1CYP2C9
SCHEMBL28714510 0.68 CNR1 (0.54) CNR1EGFRKMT2AMEN1HPGD

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
WO-2016022915-A1 6-SULFONYLAMINO QUINOLINE COMPOUNDS AS PLANT GROWTH REGULATORS THE REGENT OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-11 — — WO disclosed
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