SCHEMBL11036738

SCHEMBL11036738

COc1cc(-n2nc3c(c2Cl)CCCC3)c(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 5/20 0.46
TP53 P04637 3/20 0.37
ACHE P22303 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 2/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
CCR6 P51684 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TSHR P16473 1/20 0.33
MAPK10 P53779 1/20 0.33

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
SCHEMBL7939325 0.88 CYP1A2 (0.41) PPOXTP53ACHECYP1A2CYP3A4
SCHEMBL10871372 0.88 PPOX (0.40) PPOXTP53ALDH1A1
SCHEMBL9157698 0.87 PPOX (0.50) PPOXCYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL10563009 0.86 PPOX (0.34) PPOX
SCHEMBL8761913 0.86 PPOX (0.42) PPOX
SCHEMBL10348978 0.85 PPOX (0.39) PPOXALDH1A1MAPT
SCHEMBL8762376 0.85 PPOX (0.41) PPOX
SCHEMBL10846651 0.84 PPOX (0.33) PPOX
SCHEMBL8430652 0.83 PPOX (0.41) PPOX
SCHEMBL8433559 0.82 PPOX (0.37) PPOXTP53

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
JP-59084872-A None JP disclosed
JP-S5984872-A 2H-INDAZOLE DERIVATIVE, ITS PREPARATION AND HERBICIDE CONTAINING SAID DERIVATIVE AS ACTIVE COMPONENT SUMITOMO CHEM CO LTD 1984-05-16 JP disclosed
EP-0105721-A2 2-Substituted phenyl-4,5,6,7-tetrahydro-2H-indazoles, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-04-18 EP disclosed