SCHEMBL8367997

SCHEMBL8367997

O=C(O)CNc1cc(Br)ccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.54
ACLY P53396 1/20 0.50
CDK2 P24941 1/20 0.49
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
KCNK2 O95069 1/20 0.45
KCNK10 P57789 1/20 0.45
GLA P06280 1/20 0.44
GRIK1 P39086 3/20 0.43
AGTR1 P30556 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DHODH Q02127 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL341961 0.86 APEX1 (0.71) APEX1CDK2KDM4ETDP1KCNK2
SCHEMBL20563146 0.83 APEX1 (0.50) APEX1ACLYCDK2KDM4ETDP1
SCHEMBL18967222 0.82 APEX1 (0.40) APEX1ACLYCDK2KDM4ETDP1
SCHEMBL5054548 0.81 KDM4E (0.47) KDM4EAGTR1RAB9APOLBAKR1C3
SCHEMBL23534118 0.80 KDM4C (0.55) APEX1ACLYCDK2KDM4ETDP1
SCHEMBL9744548 0.79 CLCN2 (0.46) KDM4ETDP1KCNK2GRIK1AGTR1
SCHEMBL3236365 0.79 ALDH1A1 (0.58) KDM4EGRIK1RAB9AMEN1KMT2A
SCHEMBL25235960 0.79 KDM6B (0.56) APEX1ACLYCDK2KDM4ETDP1
SCHEMBL25870114 0.79 APEX1 (0.54) APEX1ACLYCDK2KDM4ETDP1
SCHEMBL8362077 0.79 APEX1 (0.45) APEX1CDK2KDM4ETDP1GRIK1

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
WO-1999050438-A2 CHROMOGENIC INDOLE DERIVATIVES INALCO S.P.A. (IT) 1999-10-07 WO disclosed