SCHEMBL9706746

SCHEMBL9706746

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 4/20 0.48
GAA P10253 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
NFKB2 Q00653 1/20 0.44
KMT2A Q03164 1/20 0.44
RELA Q04206 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43

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
SCHEMBL9675915 0.88 MAPT (0.50) CYP19A1ALDH1A1MAPTGAATDP1
SCHEMBL9706750 0.85 NAPRT (0.42) ALDH1A1MAPTGAASMN1; SMN2NPC1
SCHEMBL9674962 0.85 CYP19A1 (0.52) CYP19A1ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL9672860 0.81 ADRA1A (0.62) ALDH1A1MAPTGAATDP1SMN1; SMN2
SCHEMBL2488639 0.80 MAPT (0.70) CYP19A1ALDH1A1MAPTGAATDP1
SCHEMBL9706743 0.79 PTPN1 (0.46) ALDH1A1MAPTGAASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL7020139 0.79 MAPT (0.68) CYP19A1ALDH1A1MAPTGAATDP1
SCHEMBL9621031 0.78 ADRA1A (0.55) ALDH1A1MAPTGAASMN1; SMN2MEN1
SCHEMBL25698340 0.78 CYP19A1 (0.49) CYP19A1ALDH1A1MAPTGAATDP1
SCHEMBL8531170 0.77 ADRA1A (0.46) ALDH1A1MAPTGAATDP1SMN1; SMN2

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
US-5158950-A Treatment of liver disorders YUHAN CORPORATION, LTD. (KR) 1992-10-27 US disclosed
EP-0298040-A1 1,3-Dithiol-2-ylidene derivatives YUHAN CORPORATION, LTD. (KR) 1989-01-04 EP disclosed