SCHEMBL3633386

SCHEMBL3633386

Nc1ccsc1C(C(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALOX5 P09917 1/20 0.35
CYP2C19 P33261 1/20 0.33
KYNU Q16719 2/20 0.32
BCAT2 O15382 1/20 0.32
MAPK8 P45983 1/20 0.31
DAO P14920 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
RAB9A P51151 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
SCHEMBL3048188 0.80 ALOX5 (0.40) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL1667466 0.76 AKR1C3 (0.36) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL3541270 0.75 ALOX5 (0.50) SRCMEN1KMT2AMAPTALOX5
SCHEMBL3048197 0.73 KMT2A (0.41) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL23073645 0.71
SCHEMBL3632961 0.69 ESR2 (0.40) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL7454283 0.69
SCHEMBL930387 0.67
Hydrochloric Acid SCHEMBL28936756 0.67 ALOX5 (0.34) ALDH1A1ALOX5
SCHEMBL6883177 0.65 ALOX5 (0.34) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152262-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB Pharma, S.A. (BE) 2010-02-17 EP claimed
WO-2008132142-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO claimed
WO-2008132139-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO claimed
EP-2152262-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB Pharma, S.A. (BE) 2010-02-17 EP disclosed
WO-2008132142-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO disclosed
WO-2008132139-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO disclosed