SCHEMBL23645729

SCHEMBL23645729

Cc1cc(-c2c(F)c(F)c(-c3ccccc3)c(F)c2F)cc(C(=O)O)c1C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 10/20 0.56
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
FABP4 P15090 1/20 0.42
LDHA P00338 1/20 0.42
KAT7 O95251 1/20 0.41
KAT6B Q8WYB5 1/20 0.41
KAT6A Q92794 1/20 0.41
KAT5 Q92993 1/20 0.41
MCL1 Q07820 3/20 0.41
DHFR P00374 1/20 0.40
HNF4A P41235 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
ACHE P22303 1/20 0.40
MYC P01106 1/20 0.39

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
SCHEMBL23644566 0.92 DHODH (0.50) DHODHAKR1C2AKR1C1FABP4LDHA
SCHEMBL14784538 0.83 PTPN1 (0.53) DHODHAKR1C2AKR1C1LDHAMCL1
SCHEMBL14783661 0.78 DCLRE1B (0.51) DHODHAKR1C2AKR1C1MCL1
SCHEMBL24060357 0.77 DHODH (0.47) DHODHAKR1C2AKR1C1LDHADHFR
SCHEMBL18311302 0.77 KAT6A (0.58) DHODHAKR1C2AKR1C1LDHAKAT7
SCHEMBL27759717 0.76 BCL2L1 (0.48) DHODHAKR1C2AKR1C1MCL1DHFR
SCHEMBL6193196 0.75 FABP4 (0.47) DHODHAKR1C2AKR1C1FABP4LDHA
SCHEMBL14783984 0.75 MCL1 (0.42) DHODHAKR1C2AKR1C1MCL1DHFR
SCHEMBL27786187 0.74 PTPN1 (0.58) DHODHAKR1C2AKR1C1LDHAMCL1
SCHEMBL28201912 0.73 TTR (0.53) DHODHAKR1C2AKR1C1MCL1ACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3615027-B1 METHODS OF USE FOR TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2021-07-14 EP disclosed