SCHEMBL9635559

SCHEMBL9635559

Nc1ccc(OC(F)(F)Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
TDP1 Q9NUW8 6/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
MAPT P10636 6/20 0.44
MAPK1 P28482 3/20 0.44
MAOB P27338 4/20 0.41
MAOA P21397 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TEAD4 Q15561 1/20 0.39
KIF11 P52732 1/20 0.39
POLB P06746 1/20 0.38
MITF O75030 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL5073 0.82 TDP1 (0.50) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL9171098 0.81 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4TSHRMAPT
Hydrochloric Acid SCHEMBL8756363 0.80 TDP1 (0.48) ALDH1A1TDP1CYP3A4TSHRMAPT
Hydrochloric Acid SCHEMBL3785323 0.80 TDP1 (0.48) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL9476043 0.78 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL2140301 0.78 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL8812561 0.78 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL12012136 0.78 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL20505766 0.78 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL9587435 0.78 TDP1 (0.41) ALDH1A1TDP1CYP3A4TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278673-B1 A BENZOYLUREA DERIVATIVE AND ITS PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-05-13 EP disclosed
EP-0278673-A2 A benzoylurea derivative and its production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-08-17 EP disclosed
EP-0058424-B1 PYRAZOLINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1985-09-18 EP disclosed
US-4464386-A Insecticidal 3-difluoromethoxyphenyl-1-phenylcarbamoyl-2-pyrazolines NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1984-08-07 US disclosed