SCHEMBL9706750

SCHEMBL9706750

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
TP53 P04637 1/20 0.40
EPHX1 P07099 1/20 0.40
TSHR P16473 1/20 0.40
EPHX2 P34913 1/20 0.40
CDK9 P50750 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
ADRA1A P35348 1/20 0.40
PDE4D Q08499 1/20 0.40
HTT P42858 3/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9706746 0.85 CYP19A1 (0.49) KMT2ASMN1; SMN2GAAALDH1A1HPGD
SCHEMBL9672860 0.85 ADRA1A (0.62) NAPRTHSD17B10KMT2ASMN1; SMN2EPHX2
SCHEMBL9706743 0.83 PTPN1 (0.46) NAPRTHSD17B10KMT2ASMN1; SMN2TP53
SCHEMBL3955865 0.77 NAPRT (0.56) NAPRTHSD17B10KMT2ASMN1; SMN2TP53
SCHEMBL8531168 0.77 ADRA1A (0.61) ADRA1APDE4DALDH1A1
SCHEMBL9673413 0.76 RAB9A (0.51) KMT2ASMN1; SMN2TP53HTTGAA
SCHEMBL8385459 0.76 ADRA1A (0.50) TSHRADRA1APDE4DALDH1A1MAPT
SCHEMBL9675950 0.74 ADRA1A (0.57) KMT2ASMN1; SMN2TP53ADRA1APDE4D
SCHEMBL9674439 0.73 ADRA1A (0.52) KMT2ASMN1; SMN2TP53TSHRADRA1A
SCHEMBL9674516 0.73 ADRA1A (0.56) KMT2ASMN1; SMN2TP53ADRA1APDE4D

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