SCHEMBL7092995

SCHEMBL7092995

COc1ccc2nc(Cl)c(C(=O)O)c(CCl)c2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.52
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 6/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 2/20 0.49
POLB P06746 1/20 0.49
GFER P55789 1/20 0.47
LMNA P02545 1/20 0.46
PLA2G2A P14555 1/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CDK9 P50750 1/20 0.43
DYRK1A Q13627 1/20 0.43
PHLPP2 Q6ZVD8 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALPG P10696 1/20 0.42

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
SCHEMBL5860075 0.87 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL31603006 0.82 DHODH (0.62) DHODHKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27988866 0.81 DHODH (0.60) DHODHKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6220451 0.81 PGK1 (0.41) ALDH1A1POLBLMNAMAPT
SCHEMBL6216520 0.80 DHODH (0.49) DHODHALDH1A1
SCHEMBL7089981 0.79 MAPK1 (0.37) DHODHALDH1A1POLBLMNAPLA2G2A
SCHEMBL6625106 0.77 ALDH1A1 (0.44) DHODHKDM4EALDH1A1HSD17B10POLB
SCHEMBL31603085 0.77 DHODH (0.49) DHODHKDM4EALDH1A1HPGDHSD17B10
SCHEMBL641481 0.77 KDM4E (0.62) DHODHKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6222290 0.76 KDM4E (0.45) DHODHKDM4EALDH1A1HPGDHSD17B10

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
EP-0946567-B1 NOVEL COUNTERPARTS OF CAMPTOTHECIN, THEIR APPLICATION AS MEDICINE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOD CONSEILS RECH APPLIC (FR) 2003-08-27 EP disclosed
EP-0946567-A1 NOVEL COUNTERPARTS OF CAMPTOTHECIN, THEIR APPLICATION AS MEDICINE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-10-06 EP disclosed
WO-1998028305-A1 NOVEL COUNTERPARTS OF CAMPTOTHECIN, THEIR APPLICATION AS MEDICINE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-07-02 WO disclosed