SCHEMBL9458558

SCHEMBL9458558

Nc1ccnn1-c1ccc(Cl)c(Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
NOTUM Q6P988 2/20 0.43
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.37
HCAR1 Q9BXC0 3/20 0.36
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
P2RX7 Q99572 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL4753091 0.84 POLB (0.47) POLBP2RX7
SCHEMBL15428572 0.76 POLB (0.43) POLBNOTUMKDM4EMAPTCYP3A4
SCHEMBL10992734 0.76 POLB (0.55) POLBALDH1A1KDM4EGAAPKM
Hydrochloric Acid SCHEMBL11473793 0.74 POLB (0.53) POLBALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL1491128 0.70 POLB (0.53) POLBNOTUMALDH1A1NPSR1GAA
SCHEMBL7086206 0.70 ALDH1A1 (0.42) POLBALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL17861345 0.70 POLB (0.41) POLBALDH1A1NPSR1KDM4EGAA
SCHEMBL17844085 0.70 MAPK14 (0.43) POLBALDH1A1KDM4ECYP3A4
SCHEMBL10708284 0.70 NOTUM (0.37) NOTUMALDH1A1NPSR1HCAR1
SCHEMBL17844034 0.69 POLB (0.52) POLBALDH1A1KDM4EGAAP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5256634-A Herbicidal agents based on pyrazole derivatives BAYER AKTIENGESELLSCHAFT (DE) 1993-10-26 US disclosed
US-5104439-A HERBICIDAL AGENTS BASED ON PYRAZOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1992-04-14 US disclosed
EP-0154115-B1 HERBICIDAL COMPOSITIONS BASED ON DERIVATIVES OF PYRAZOLES BAYER AG (DE) 1988-10-26 EP disclosed
US-4614533-A Herbicidal 5-amino-1-phenylpyrazoles BAYER AKTIENGESELLSCHAFT (DE) 1986-09-30 US disclosed
EP-0154115-A1 Herbicidal compositions based on derivatives of pyrazoles BAYER AG (DE) 1985-09-11 EP disclosed