SCHEMBL8950429

SCHEMBL8950429

O=C1C(c2ccc(Cl)cc2Cl)C(=O)N2CCCCN12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
CNR1 P21554 2/20 0.46
CNR2 P34972 1/20 0.46
TSHR P16473 4/20 0.45
ALOX15 P16050 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 2/20 0.44
AGTR1 P30556 1/20 0.44
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
DPP4 P27487 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL8950295 0.79 CHRNA7 (0.45) ALDH1A1TSHRDPP4KDM4EMAPT
SCHEMBL2363015 0.78 ALDH1A1 (0.39) ALDH1A1CNR1CNR2TSHRALOX15
SCHEMBL8950527 0.75 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL9537022 0.75 CNR1 (0.46) ALDH1A1CNR1CNR2TSHRALOX15
SCHEMBL8950185 0.74 SMN1; SMN2 (0.47) ALDH1A1TSHRALOX15L3MBTL1GAA
SCHEMBL6113569 0.73 CNR2 (0.35) ALDH1A1CNR1CNR2MEN1KMT2A
SCHEMBL10896846 0.73 GAA (0.46) ALDH1A1TSHRGAAAGTR1HTT
SCHEMBL6113846 0.72 PGR (0.42) HTR2AMAPT
SCHEMBL11211107 0.70 HTR2A (0.47) ALDH1A1TSHRGAAAGTR1HTT
SCHEMBL8950283 0.70 SMN1; SMN2 (0.40) ALDH1A1ALOX15MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577629-B1 NOVEL HERBICIDALLY, ACARICIDALLY AND INSECTICIDALLY ACTIVE COMPOUNDS CIBA GEIGY AG (CH) 1996-06-26 EP claimed
WO-1992016510-A1 NOVEL HERBICIDALLY, ACARICIDALLY AND INSECTICIDALLY ACTIVE COMPOUNDS CIBA-GEIGY AG (CH) 1992-10-01 WO claimed
EP-0577629-B1 NOVEL HERBICIDALLY, ACARICIDALLY AND INSECTICIDALLY ACTIVE COMPOUNDS CIBA GEIGY AG (CH) 1996-06-26 EP disclosed
US-5506193-A Herbicidally, acaricidally and insecticidally active pyrazolidine compounds CIBA-GEIGY CORPORATION (US) 1996-04-09 US disclosed
US-5494890-A FOR CONTROLLING WEEDS, INSECTS, MITES CIBA-GEIGY CORPORATION (US) 1996-02-27 US disclosed
WO-1992016510-A1 NOVEL HERBICIDALLY, ACARICIDALLY AND INSECTICIDALLY ACTIVE COMPOUNDS CIBA-GEIGY AG (CH) 1992-10-01 WO disclosed