SCHEMBL9602657

SCHEMBL9602657

COc1ccc(C2CC(=O)Nc3ccccc3S2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.72
ALDH1A1 P00352 2/20 0.72
TSHR P16473 2/20 0.72
HSD17B10 Q99714 1/20 0.72
MAPK1 P28482 3/20 0.69
TP53 P04637 3/20 0.69
GAA P10253 1/20 0.69
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
BRD4 O60885 2/20 0.57
CREBBP Q92793 2/20 0.57
SLC2A1 P11166 1/20 0.54
MAP2K1 Q02750 1/20 0.51
GSK3B P49841 3/20 0.48
THRB P10828 1/20 0.47
ALOX12 P18054 1/20 0.46
RAB9A P51151 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL11156685 0.85 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL9817819 0.84 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL4116168 0.77 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL4539804 0.76 SLC2A1 (0.63) SMN1; SMN2ALDH1A1TSHRMAPK1TP53
SCHEMBL9271327 0.74 BRD4 (0.54) SMN1; SMN2ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL7327312 0.74 HSD17B10 (0.73) SMN1; SMN2ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL30520180 0.74 HSD17B10 (0.73) SMN1; SMN2ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL8144156 0.74 SLC2A1 (0.52) SMN1; SMN2ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL5020108 0.74 HSD17B10 (0.73) SMN1; SMN2ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL7348790 0.74 HSD17B10 (0.73) SMN1; SMN2ALDH1A1TSHRHSD17B10MAPK1

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-5198557-A PROCESS FOR THE RESOLUTION OF 3-(4-SUBSTITUTED-PHENYL)-GLYCIDIC ACID DERIVATIVES ZAMBON GROUP S.P.A. (IT) 1993-03-30 US disclosed
EP-0353538-A2 Process for the preparation of intermediates for the synthesis of diltiazem ZAMBON GROUP S.p.A. (IT) 1990-02-07 EP disclosed