SCHEMBL23645656

SCHEMBL23645656

Cc1cc(-c2ccc(-n3c(C)ccc3C)cc2)cc(C(=O)O)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.55
MYC P01106 5/20 0.50
CTSB P07858 3/20 0.50
KLKB1 P03952 2/20 0.50
PKM P14618 2/20 0.50
ELANE P08246 1/20 0.50
MMP9 P14780 1/20 0.50
DUSP3 P51452 1/20 0.50
TDP1 Q9NUW8 3/20 0.49
NR4A1 P22736 3/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.49
APEX1 P27695 1/20 0.49
NOTUM Q6P988 4/20 0.43
MCL1 Q07820 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
SCHEMBL23645576 0.85 DHODH (0.57) DHODHMYCCTSBKLKB1PKM
SCHEMBL23645577 0.84 DHODH (0.51) DHODHMYCCTSBKLKB1PKM
SCHEMBL24060266 0.82 DHODH (0.56) DHODHMYCCTSBKLKB1PKM
SCHEMBL1553215 0.81 KDM4E (0.70) MYCTDP1KDM4EALDH1A1MAPT
SCHEMBL23645548 0.80 DHODH (0.50) DHODHMYCCTSBKLKB1PKM
SCHEMBL2426286 0.80 KDM4E (0.59) DHODHTDP1KDM4EALDH1A1MEN1
SCHEMBL23645550 0.80 DHODH (0.52) DHODHMYCCTSBKLKB1PKM
SCHEMBL22732563 0.79 KDM4E (0.54) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL23645549 0.79 DHODH (0.51) DHODHMYCCTSBKLKB1PKM
SCHEMBL23644492 0.79 DHODH (0.51) DHODHMYCCTSBKLKB1PKM

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