SCHEMBL7119788

SCHEMBL7119788

O=C(O)c1ccsc1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
PTPN2 P17706 1/20 0.44
PTPRB P23467 1/20 0.44
PTPN6 P29350 1/20 0.44
POLB P06746 1/20 0.44
NR4A1 P22736 1/20 0.44
RECQL P46063 1/20 0.44
ESR2 Q92731 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 2/20 0.41
GLA P06280 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ABCC1 P33527 1/20 0.39
KDM6B O15054 1/20 0.38
KDM4A O75164 1/20 0.38

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
SCHEMBL2778669 0.81 MEN1 (0.43) MEN1KMT2AMAPTPTPN2PTPRB
SCHEMBL3810061 0.81 MEN1 (0.47) MEN1KMT2AMAPTPTPN2PTPRB
SCHEMBL2083893 0.81 PTK2 (0.38) MEN1KMT2AMAPTPOLBNR4A1
SCHEMBL11443114 0.79 MEN1 (0.42) MEN1KMT2AMAPTPTPN2PTPRB
SCHEMBL28560254 0.79 LTB4R (0.43) MEN1KMT2AMAPTPTPN2PTPRB
SCHEMBL4773626 0.78 KMT2A (0.41) MEN1KMT2AMAPTPTPN2PTPRB
SCHEMBL11630922 0.78 MEN1 (0.41) MEN1KMT2AMAPTPTPN2PTPRB
SCHEMBL14039776 0.78 KMT2A (0.41) MEN1KMT2AMAPTPTPN2PTPRB
SCHEMBL2081679 0.78 HSP90AB1 (0.39) MEN1KMT2AMAPTPOLBNR4A1
SCHEMBL11394536 0.78 HNF4A (0.47) MEN1KMT2APTPN2PTPN6ALDH1A1

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
JP-2003212867-A METHOD FOR PRODUCING 2,3-DISUBSTITUTED THIOPHENE DERIVATIVE KURARAY CO LTD 2003-07-30 JP disclosed
US-4560701-A ANTIINFLAMMATORY, ANALGESIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-12-24 US disclosed