SCHEMBL8044197

SCHEMBL8044197

O=C(Nc1ccccc1C(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.79
KDM4E B2RXH2 1/20 0.75
MEN1 O00255 1/20 0.71
PKM P14618 1/20 0.71
KMT2A Q03164 1/20 0.71
NR1H4 Q96RI1 6/20 0.68
SLC16A3 O15427 1/20 0.68
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
TERT O14746 2/20 0.65
PPARG P37231 3/20 0.64
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA4 P22748 1/20 0.62
CA7 P43166 1/20 0.62
CHEK1 O14757 1/20 0.62
PIM1 P11309 1/20 0.62
MAPK8 P45983 1/20 0.62
CLK4 Q9HAZ1 1/20 0.62
PPARD Q03181 1/20 0.60

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
SCHEMBL8848130 0.90 DHODH (0.73) DHODHKDM4EMEN1PKMKMT2A
SCHEMBL18120563 0.88 DHODH (1.00) DHODHKDM4EMEN1PKMKMT2A
SCHEMBL7164649 0.88 DHODH (0.64) DHODHKDM4EMEN1PKMKMT2A
SCHEMBL16211079 0.86 NPC1 (0.64) DHODHKDM4ENR1H4SLC16A3NPC1
SCHEMBL6408811 0.86 MEN1 (0.64) DHODHKDM4EMEN1PKMKMT2A
SCHEMBL7237031 0.86 SUCNR1 (0.73) DHODHKDM4EMEN1PKMKMT2A
SCHEMBL14441241 0.85 KDM4E (0.64) DHODHKDM4EMEN1PKMKMT2A
SCHEMBL2028671 0.85 DHODH (0.86) DHODHMEN1PKMKMT2ANPC1
SCHEMBL6357745 0.84 DHODH (0.78) DHODHKDM4EMEN1KMT2ANR1H4
SCHEMBL1307456 0.84 GRIK1 (0.67) DHODHKDM4EMEN1PKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1907960-A Anthranilic acid derivatives TEIJIN LTD (JP) 2007-02-07 CN disclosed
CN-1081623-C Benzene derivatives TEIJIN LTD (JP) 2002-03-27 CN disclosed
EP-0806412-B1 BENZENE DERIVATIVES TEIJIN LTD (JP) 2000-04-05 EP disclosed
CN-1048239-C Naphthalene deriv. TEIJIN LTD (JP) 2000-01-12 CN disclosed
EP-0763523-B1 NAPHTHALENE DERIVATIVE TEIJIN LTD (JP) 1999-10-13 EP disclosed
US-5945450-A ANTIALLERGENS TEIJIN LIMITED (JP) 1999-08-31 US disclosed
US-5808144-A ANTIALLERGENS TEIJIN LIMITED (JP) 1998-09-15 US disclosed
CN-1173169-A Benzene derivatives TEIJIN LTD (JP) 1998-02-11 CN disclosed
EP-0806412-A1 BENZENE DERIVATIVES TEIJIN LIMITED (JP) 1997-11-12 EP disclosed
CN-1153511-A Naphthalene deriv. TEIJIN LTD (JP) 1997-07-02 CN disclosed
EP-0763523-A1 NAPHTHALENE DERIVATIVE TEIJIN LIMITED (JP) 1997-03-19 EP disclosed