SCHEMBL7840196

SCHEMBL7840196

O=C(O)c1ccccc1-c1ccn[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.59
SCN4A P35499 2/20 0.50
FTO Q9C0B1 1/20 0.50
CYP4F2 P78329 3/20 0.49
CYP4A11 Q02928 3/20 0.49
CD74 P04233 1/20 0.49
MIF P14174 1/20 0.49
BCAT2 O15382 3/20 0.47
HCAR2 Q8TDS4 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
HPGDS O60760 1/20 0.45
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 2/20 0.44
MYC P01106 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
POLB P06746 1/20 0.42
PIM1 P11309 1/20 0.41

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
SCHEMBL28210386 0.85 IDO1 (0.50) IDO1SCN4AFTOCYP4F2CYP4A11
SCHEMBL4760375 0.84 IDO1 (0.58) IDO1SCN4AFTOCD74MIF
SCHEMBL28706659 0.83 FTO (0.49) IDO1SCN4AFTOCYP4F2CYP4A11
SCHEMBL11767517 0.80 IDO1 (0.53) IDO1BCAT2ALDH1A1KDM4ERAB9A
SCHEMBL1586794 0.77 IDO1 (0.59) IDO1FTOCYP4F2CYP4A11CD74
SCHEMBL29998937 0.75 IDO1 (1.00) IDO1SCN4AALDH1A1ALOX15HPGDS
SCHEMBL1501845 0.75 IDO1 (1.00) IDO1SCN4AALDH1A1ALOX15HPGDS
SCHEMBL15896896 0.74 CYP3A4 (0.45) ALDH1A1ALOX15KDM4ERAB9AMYC
SCHEMBL1586170 0.73 HCRTR1 (0.49) SCN4AFTOCYP4F2CYP4A11CD74
SCHEMBL36145 0.73 ALDH1A1 (0.72) ALDH1A1ALOX15KDM4EMYCCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0836593-B1 5-PYRAZOLYLBENZOIC ACID DERIVATIVES AS HERBICIDES BASF AG (DE) 2001-02-14 EP claimed
US-6096689-A AND FOR DESICCATING OR DEFOLIATING PLANTS; APPLYING TO CROPS, IN PARTICULAR, COTTON BASF AKTIENGESELLSCHAFT (DE) 2000-08-01 US claimed
CN-1190392-A 5-pyrazolylbenzoic acid derivatives as herbicides BASF AG (DE) 1998-08-12 CN claimed
EP-0836593-B1 5-PYRAZOLYLBENZOIC ACID DERIVATIVES AS HERBICIDES BASF AG (DE) 2001-02-14 EP disclosed
US-6096689-A AND FOR DESICCATING OR DEFOLIATING PLANTS; APPLYING TO CROPS, IN PARTICULAR, COTTON BASF AKTIENGESELLSCHAFT (DE) 2000-08-01 US disclosed
US-6096689-A AND FOR DESICCATING OR DEFOLIATING PLANTS; APPLYING TO CROPS, IN PARTICULAR, COTTON BASF AKTIENGESELLSCHAFT (DE) 2000-08-01 US disclosed
US-6096689-A AND FOR DESICCATING OR DEFOLIATING PLANTS; APPLYING TO CROPS, IN PARTICULAR, COTTON BASF AKTIENGESELLSCHAFT (DE) 2000-08-01 US disclosed
CN-1190392-A 5-pyrazolylbenzoic acid derivatives as herbicides BASF AG (DE) 1998-08-12 CN disclosed
CN-1190392-A 5-pyrazolylbenzoic acid derivatives as herbicides BASF AG (DE) 1998-08-12 CN disclosed
CN-1190392-A 5-pyrazolylbenzoic acid derivatives as herbicides BASF AG (DE) 1998-08-12 CN disclosed
EP-0836593-A1 5-PYRAZOLYLBENZOIC ACID DERIVATIVES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-04-22 EP disclosed
WO-1997002251-A1 5-PYRAZOLYLBENZOIC ACID DERIVATIVES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-01-23 WO disclosed