SCHEMBL6681990

SCHEMBL6681990

COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 1.00
ATM Q13315 1/20 1.00
ALDH1A1 P00352 6/20 0.81
MEN1 O00255 3/20 0.81
KMT2A Q03164 3/20 0.81
LMNA P02545 1/20 0.75
AURKA O14965 7/20 0.74
HPGD P15428 3/20 0.71
MAPT P10636 4/20 0.68
TP53 P04637 1/20 0.68
KDM4E B2RXH2 4/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
HSD17B10 Q99714 1/20 0.67
NPSR1 Q6W5P4 1/20 0.65
CDK1 P06493 1/20 0.65
CDK4 P11802 1/20 0.65
CDK2 P24941 1/20 0.65
CDK7 P50613 1/20 0.65
CDK6 Q00534 1/20 0.65
CDK5 Q00535 1/20 0.65

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
SCHEMBL977618 0.88 L3MBTL1 (0.79) L3MBTL1ATMALDH1A1MEN1KMT2A
SCHEMBL23928576 0.87 L3MBTL1 (0.77) L3MBTL1ATMALDH1A1MEN1KMT2A
SCHEMBL4771997 0.86 LMNA (1.00) L3MBTL1ATMALDH1A1MEN1KMT2A
SCHEMBL28347215 0.86 L3MBTL1 (0.75) L3MBTL1ATMALDH1A1MEN1KMT2A
SCHEMBL28771391 0.86 ALDH1A1 (0.78) L3MBTL1ATMALDH1A1MEN1KMT2A
SCHEMBL4501557 0.85 ALDH1A1 (0.82) L3MBTL1ATMALDH1A1MEN1KMT2A
SCHEMBL30963700 0.85 L3MBTL1 (0.74) L3MBTL1ATMALDH1A1MEN1KMT2A
SCHEMBL6692762 0.85 AURKA (1.00) L3MBTL1ALDH1A1MEN1KMT2AAURKA
SCHEMBL6683128 0.85 L3MBTL1 (0.73) L3MBTL1ATMALDH1A1MEN1KMT2A
SCHEMBL23928522 0.84 MAPT (0.74) L3MBTL1ATMALDH1A1MEN1KMT2A

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-2004043951-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS CAREX S.A. (FR) 2004-05-27 WO disclosed