SCHEMBL4704635

SCHEMBL4704635

COc1ccc2nsc(C(=O)O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.54
ALDH1A1 P00352 5/20 0.54
HSD17B10 Q99714 4/20 0.54
HPGD P15428 4/20 0.54
LMNA P02545 2/20 0.54
POLB P06746 2/20 0.54
MAPK1 P28482 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALPG P10696 1/20 0.45
HTT P42858 1/20 0.45
PLA2G2A P14555 2/20 0.45
DHODH Q02127 1/20 0.44
ATM Q13315 1/20 0.44
CYP1A2 P05177 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PLA2G10 O15496 1/20 0.43
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5265596 0.89 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL9722778 0.75 CYP1A2 (0.47) KDM4EALDH1A1HSD17B10LMNAPOLB
SCHEMBL641481 0.75 KDM4E (0.62) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL5611010 0.74 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL260528 0.73 KDM4E (0.46) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL3984394 0.72 SMN1; SMN2 (0.42) KDM4EALDH1A1LMNAPOLBDHODH
SCHEMBL5611137 0.70 ALOX15 (0.45) KDM4EALDH1A1HPGDPOLBMAPK1
SCHEMBL23858700 0.70 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL15798322 0.70 KDM4E (0.73) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL39557 0.70 LMNA (1.00) KDM4EALDH1A1HSD17B10HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963332-A1 1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2008-09-03 EP disclosed
WO-2007056582-A1 1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2007-05-18 WO disclosed