SCHEMBL7984989

SCHEMBL7984989

O=C(O)Oc1csc(CNC(=O)c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
NPC1 O15118 2/20 0.50
HPGD P15428 4/20 0.47
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 2/20 0.44
ROCK2 O75116 2/20 0.43
GRK2 P25098 1/20 0.43
GAA P10253 1/20 0.42
ENPP2 Q13822 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
RPS6KA5 O75582 1/20 0.41
MAP4K4 O95819 1/20 0.41
PRKCG P05129 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AKT1 P31749 1/20 0.41
GSK3A P49840 1/20 0.41

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
SCHEMBL2711084 0.79 NPC1 (0.58) KDM4ENPC1HPGDMAPTMAPK1
SCHEMBL7984987 0.79 KDM4E (0.53) KDM4ENPC1HPGDMAPTMAPK1
SCHEMBL2227256 0.78 MAPT (0.67) KDM4ENPC1HPGDMAPTMAPK1
SCHEMBL7260803 0.74 RAB9A (0.67) KDM4ENPC1HPGDMAPTMAPK1
SCHEMBL7983789 0.71 LOXL2 (0.36) MEN1
SCHEMBL13118304 0.70 NPC1 (0.60) KDM4ENPC1HPGDLMNAROCK2
SCHEMBL4672078 0.69 PPARD (0.50) KDM4ENPC1MAPTPOLBRAB9A
SCHEMBL1491324 0.69 MGLL (0.46) NPC1LMNAENPP2HDAC1HDAC6
SCHEMBL4152631 0.69 MAPK14 (0.60) KDM4ENPC1HPGDMAPTLMNA
SCHEMBL7447830 0.68 ROCK2 (0.65) ROCK2ROCK1

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-2001027095-A1 METHOD FOR PRODUCING 2-(N-BOC-AMINOMETHYL)-THIAZOL-4-CARBOXYLIC ACID BASF AKTIENGESELLSCHAFT (DE) 2001-04-19 WO disclosed