SCHEMBL10778668

SCHEMBL10778668

NC1=CC(N)(C(=O)C(O)c2ccccc2)CC(N)=C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.32
CPN1 P15169 1/20 0.31
CPB2 Q96IY4 1/20 0.31
CYP1A2 P05177 1/20 0.31
NR1I2 O75469 1/20 0.31
ABCB11 O95342 1/20 0.31
CYP2D6 P10635 1/20 0.31
SRC P12931 1/20 0.31
BCAT2 O15382 1/20 0.30
KMT2A Q03164 1/20 0.30
CTSD P07339 1/20 0.30

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
SCHEMBL8758002 0.77 LMNA (0.41) LMNACES2CES1MAPK1HPGD
SCHEMBL10435053 0.72 LMNA (0.40) LMNACES2CES1MAPK1HPGD
SCHEMBL23501715 0.65 LMNA (0.41) LMNACES2CES1MAPK1HPGD
SCHEMBL461654 0.64 LMNA (0.57) LMNACES2CES1MAPK1HPGD
SCHEMBL28754615 0.64 LMNA (0.47) LMNACES2CES1MAPK1HPGD
SCHEMBL4026125 0.61 LMNA (0.65) LMNACES2CES1MAPK1HPGD
SCHEMBL159419 0.61 LMNA (0.65) LMNACES2CES1MAPK1HPGD
SCHEMBL4136525 0.61 LMNA (0.65) LMNACES2CES1MAPK1HPGD
Mandelic Acid SCHEMBL8876737 0.61 LMNA (0.90) LMNACES2CES1MAPK1HPGD
Mandelic Acid SCHEMBL6056301 0.61 LMNA (0.90) LMNACES2CES1MAPK1HPGD

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-0096659-B1 PROCESS FOR DYEING OR PRINTING FIBROUS TEXTILE MATERIALS WITH REACTIVE DYES CIBA-GEIGY AG (CH) 1987-04-01 EP disclosed