SCHEMBL4431998

SCHEMBL4431998

NNc1c(Cl)cc(C(F)(F)F)c(F)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.31
IDO1 P14902 3/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL10497670 0.85 ALDH1A1 (0.34) ALDH1A1POLBTDP1L3MBTL1RAPGEF4
Hydrochloric Acid SCHEMBL10718566 0.83 ALDH1A1 (0.37) ALDH1A1POLBTDP1L3MBTL1RAPGEF4
SCHEMBL3175500 0.76 NOTUM (0.33) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL9748215 0.75 ALDH1A1 (0.36) ALDH1A1POLBIDO1HTR3EHTR3B
SCHEMBL18130156 0.73 CLCN2 (0.48) ALDH1A1POLBTDP1L3MBTL1RAPGEF4
SCHEMBL11674968 0.72 ALDH1A1 (0.38) ALDH1A1POLBTDP1L3MBTL1RAPGEF4
SCHEMBL7894304 0.71 TP53 (0.34) RAPGEF4IDO1HTR3EHTR3BHTR3A
SCHEMBL10698002 0.71 HSD17B10 (0.43) ALDH1A1POLBHTR3EHTR3BHTR3A
SCHEMBL241686 0.70 ALDH1A1 (0.42) ALDH1A1POLBTDP1RAPGEF4IDO1
SCHEMBL7713462 0.70 KDM4E (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137136-A2 PROCESS FOR PREPARING SUBSTITUTED PHENYLHYDRAZINES BASF SE (DE) 2009-12-30 EP disclosed
WO-2008113661-A2 PROCESS FOR PREPARING SUBSTITUTED PHENYLHYDRAZINES BASF SE (DE) 2008-09-25 WO disclosed
US-4936892-A HERBICIDES; PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1990-06-26 US disclosed
US-4909832-A Plant growth regulator BAYER AKTIENGESELLSCHAFT (DE) 1990-03-20 US disclosed
EP-0302328-A2 1-Aryl pyrazoles BAYER AG (DE) 1989-02-08 EP disclosed
EP-0302327-A1 3,5-Dialkyl-1-arylpyrazoles BAYER AG (DE) 1989-02-08 EP disclosed
US-4764202-A 5-dichloroacetamido-4-nitro-1-aryl-pyrazoles, composition containing them, and herbicidal and plant growth regulating method of using them BAYER AKTIENGESELLSCHAFT (DE) 1988-08-16 US disclosed
EP-0224831-A2 5-Dichloroacetamido-4-nitro-1-aryl-pyrazoles BAYER AG (DE) 1987-06-10 EP disclosed