SCHEMBL9157698

SCHEMBL9157698

CC(C)Oc1cc(-n2nc3c(c2Cl)CCCC3)c(F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 7/20 0.50
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NR1I2 O75469 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 3/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
S1PR1 P21453 1/20 0.36
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
MAPT P10636 1/20 0.34
DHODH Q02127 1/20 0.34

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
SCHEMBL8761913 0.92 PPOX (0.42) PPOXDHODH
SCHEMBL8762376 0.91 PPOX (0.41) PPOXDHODH
SCHEMBL10564557 0.90 PPOX (0.49) PPOXMEN1KMT2ANR1I2TDP1
SCHEMBL10348978 0.89 PPOX (0.39) PPOXMEN1KMT2AALDH1A1MAPT
SCHEMBL10930751 0.88 PPOX (0.39) PPOXDHODH
SCHEMBL11036738 0.87 PPOX (0.46) PPOXALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL10871372 0.83 PPOX (0.40) PPOXALDH1A1POLB
SCHEMBL10563009 0.83 PPOX (0.34) PPOXDHODH
SCHEMBL9000403 0.81 PPOX (0.37) PPOXDHODH
SCHEMBL10846651 0.81 PPOX (0.33) PPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0105721-B1 2-SUBSTITUTED PHENYL-4,5,6,7-TETRAHYDRO-2H-INDAZOLES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-11-11 EP claimed
US-4670043-A Herbicidal 2-substituted phenyl-4,5,6,7-tetrahydro-2H-indazoles SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-06-02 US claimed
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 claimed
JP-61015802-A None JP disclosed
JP-59059666-A None JP disclosed
US-5407808-A Treating tumor with inhibitor of protoporphyrinogen conversion to heme FMC CORPORATION (US) 1995-04-18 US disclosed
US-5298502-A Exposure to light in presence of oxidase inhibitor FMC CORPORATION (US) 1994-03-29 US disclosed
EP-0447491-B1 PROTOPORPHYRINOGEN INHIBITORS AND THEIR USE IN COMPOSITIONS FOR DETECTING AND TREATING TUMOURS FMC CORP (US) 1993-08-11 EP disclosed
WO-1991019418-A1 TREATMENT OF DISEASE FMC CORPORATION (US) 1991-12-26 WO disclosed
EP-0447491-A1 Protoporphyrinogen inhibitors and their use in compositions for detecting and treating Tumours. FMC CORP (US) 1991-09-25 EP disclosed
WO-1990006748-A2 USE OF CERTAIN HERBICIDES IN CANCER TREATMENT AND PRODUCTION OF PROTOPORPHYRIN IX FMC CORPORATION (US) 1990-06-28 WO disclosed
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
JP-S6115802-A HERBICIDAL COMPOSITION NISSAN CHEM IND LTD 1986-01-23 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
JP-S5959666-A 3-CHLORO-2-(4-CHLORO-2-FLUORO-5-(1-METHYLETHOXY)-PHENYL)- 4,5,6,7-TETRAHYDRO-2H-INDAZOLE, ITS PREPARATION AND HERBICIDE CONTAINING SAID COMPOUND AS ACTIVE COMPONENT SUMITOMO CHEM CO LTD 1984-04-05 JP disclosed