SCHEMBL6284012

SCHEMBL6284012

O=C(Nc1ccccc1-c1ccsc1C(=O)O)c1ccco1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.64
HSD17B10 Q99714 3/20 0.57
MAPK1 P28482 3/20 0.57
KDM4E B2RXH2 2/20 0.57
KMT2A Q03164 5/20 0.56
MAPT P10636 4/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
USP2 O75604 2/20 0.52
TP53 P04637 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
ATM Q13315 1/20 0.52
RAB9A P51151 1/20 0.50
MEN1 O00255 3/20 0.49
PKM P14618 3/20 0.49
HTT P42858 1/20 0.49
HDAC1 Q13547 1/20 0.49
ESR2 Q92731 1/20 0.49
GAA P10253 1/20 0.48
NPC1 O15118 1/20 0.47

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
SCHEMBL19476106 0.78 TSHR (1.00) TSHRHSD17B10MAPK1KDM4EKMT2A
SCHEMBL15528812 0.74 MAPK1 (0.71) TSHRHSD17B10MAPK1KDM4EKMT2A
SCHEMBL6635707 0.73 SMN1; SMN2 (0.69) TSHRMAPK1KDM4EKMT2AMAPT
SCHEMBL6284014 0.72 ALDH1A1 (0.42) TSHRHSD17B10MAPK1KDM4EKMT2A
SCHEMBL16425581 0.71 PTPN1 (0.61) TSHRKDM4EKMT2AMAPTTDP1
SCHEMBL6282860 0.70 PTPN1 (0.72) TSHR
SCHEMBL30117825 0.69 RAB9A (0.74) TSHRHSD17B10MAPK1KDM4EKMT2A
SCHEMBL6633552 0.69 SMN1; SMN2 (1.00) TSHRMAPK1KDM4EKMT2AMAPT
SCHEMBL30587183 0.69 SMN1; SMN2 (1.00) TSHRMAPK1KDM4EKMT2AMAPT
SCHEMBL1520253 0.69 KMT2A (0.67) TSHRHSD17B10MAPK1KDM4EKMT2A

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-2005081954-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO disclosed