SCHEMBL9706743

SCHEMBL9706743

O=C(O)C(C(=O)Nc1ccccc1)=C1SC=CS1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
PTPN11 Q06124 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
TP53 P04637 1/20 0.45
EPHX1 P07099 1/20 0.45
TSHR P16473 1/20 0.45
EPHX2 P34913 1/20 0.45
CDK9 P50750 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
GPR35 Q9HC97 1/20 0.44
NAPRT Q6XQN6 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
PKM P14618 2/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 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
SCHEMBL9706750 0.83 NAPRT (0.42) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL9706778 0.83 RAB9A (0.60) SMN1; SMN2TP53NPC1RAB9APKM
SCHEMBL9673413 0.81 RAB9A (0.51) SMN1; SMN2TP53NPC1RAB9AKMT2A
SCHEMBL23643925 0.81 BCHE (0.45) PTPN1PTPN11SMN1; SMN2TP53EPHX1
SCHEMBL9706746 0.79 CYP19A1 (0.49) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL9672860 0.79 ADRA1A (0.62) SMN1; SMN2EPHX2NAPRTHSD17B10NPC1
SCHEMBL9673903 0.78 RAB9A (0.60) SMN1; SMN2NPC1RAB9APKMKMT2A
SCHEMBL616739 0.74 PTPN11 (0.75) PTPN1PTPN11SMN1; SMN2TP53EPHX1
SCHEMBL57554 0.73 SMN1; SMN2 (0.70) PTPN1PTPN11SMN1; SMN2TP53EPHX1
Benzene SCHEMBL28977956 0.73 SMN1; SMN2 (0.70) PTPN1PTPN11SMN1; SMN2TP53EPHX1

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
US-5158950-A Treatment of liver disorders YUHAN CORPORATION, LTD. (KR) 1992-10-27 US disclosed