SCHEMBL7984987

SCHEMBL7984987

O=C(NCc1nc(C(=O)O)cs1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
NPC1 O15118 1/20 0.53
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP13 P45452 1/20 0.52
ENPP2 Q13822 1/20 0.52
LIPG Q9Y5X9 1/20 0.51
HPGD P15428 3/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC8 Q9BY41 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
ROCK2 O75116 2/20 0.45

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
SCHEMBL7260803 0.83 RAB9A (0.67) KDM4ENPC1MMP1MMP13HPGD
SCHEMBL2711084 0.82 NPC1 (0.58) KDM4ENPC1HPGDMAPTMAPK1
SCHEMBL2227256 0.81 MAPT (0.67) KDM4ENPC1HPGDHDAC1HDAC6
SCHEMBL7984989 0.79 KDM4E (0.50) KDM4ENPC1ENPP2HPGDHDAC1
SCHEMBL14076069 0.78 MMP1 (0.47) KDM4EMMP1MMP2MMP9MMP13
SCHEMBL13634357 0.78 L3MBTL1 (0.54) KDM4EMMP1MMP2MMP9MMP13
SCHEMBL1491309 0.78 MAPT (0.57) KDM4ENPC1ENPP2HDAC1HDAC6
SCHEMBL3165764 0.77 MMP2 (0.53) MMP1MMP2MMP9MMP13LIPG
SCHEMBL13162586 0.76 LIPG (0.45) KDM4ENPC1MMP1MMP2MMP9
SCHEMBL13270733 0.74 MMP1 (0.49) KDM4EMMP1MMP2MMP9MMP13

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