SCHEMBL10561861

SCHEMBL10561861

Oc1cc(NNF)ccc1Br

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 1/20 0.36
▸ KDM1A O60341 2/20 0.35
▸ KDM1B Q8NB78 1/20 0.35
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ ALOX15 P16050 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ TMPRSS4 Q9NRS4 1/20 0.31
▸ KDR P35968 1/20 0.30
▸ MAPT P10636 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ PLEC Q15149 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
SCHEMBL6321756 0.75 HSD17B10 (0.46) KDRMAPTMEN1ALDH1A1POLB
Hydrochloric Acid SCHEMBL4679683 0.73 HSD17B10 (0.45) KDRMAPTMEN1ALDH1A1POLB
SCHEMBL14720938 0.68 CA12 (0.54) SNCATMPRSS4MAPTMEN1KMT2A
Sulfuric Acid SCHEMBL6321163 0.68 HSD17B10 (0.39) ALOX15IDO1MAPTALDH1A1POLB
SCHEMBL879793 0.68 PKM (0.59) SNCAMAPTMEN1ALDH1A1POLB
SCHEMBL1878318 0.67 IDO1 (0.45) IDO1MAPTMEN1ALDH1A1KMT2A
SCHEMBL9730282 0.66 ALDH1A1 (0.46) SNCAMEN1ALDH1A1POLBKMT2A
Hydrochloric Acid SCHEMBL1584025 0.66 IDO1 (0.43) IDO1MAPTMEN1ALDH1A1KMT2A
SCHEMBL91238 0.66 — —
SCHEMBL30952788 0.66 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4835286-A 2-Substituted phenyl-4,5,6,7-tetrahydro-2H-indazoles SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-05-30 — — US disclosed
US-4670043-A Herbicidal 2-substituted phenyl-4,5,6,7-tetrahydro-2H-indazoles SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-06-02 — — US disclosed
US-4624699-A 2-substituted phenyl-4,5,6,7-tetrahydro-2H-indazoles, their production, and use as herbicides SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1986-11-25 — — US disclosed
Send feedback