SCHEMBL8635308

SCHEMBL8635308

COc1cccc2sc(S[N])nc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
TDP1 Q9NUW8 5/20 0.59
CYP3A4 P08684 1/20 0.59
KDM4E B2RXH2 7/20 0.55
MAPT P10636 7/20 0.55
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
GAA P10253 2/20 0.55
HPGD P15428 7/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
TP53 P04637 4/20 0.50
NPC1 O15118 4/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
DYRK1A Q13627 1/20 0.50
F2RL3 Q96RI0 1/20 0.49
TSHR P16473 2/20 0.47
PPARG P37231 2/20 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
SCHEMBL6899691 0.87 ALDH1A1 (0.63) ALDH1A1TDP1CYP3A4KDM4EMAPT
SCHEMBL6693695 0.87 ALDH1A1 (0.63) ALDH1A1TDP1CYP3A4KDM4EMAPT
SCHEMBL2336046 0.85 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4KDM4EMAPT
SCHEMBL8634248 0.83 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4KDM4EMAPT
SCHEMBL31294145 0.80 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4KDM4EMAPT
SCHEMBL6689383 0.78 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4KDM4EMAPT
SCHEMBL6691887 0.78 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4KDM4EMAPT
SCHEMBL3123406 0.76 ALDH1A1 (0.67) ALDH1A1TDP1CYP3A4KDM4EMAPT
SCHEMBL3072555 0.76 ALDH1A1 (0.67) ALDH1A1TDP1CYP3A4KDM4EMAPT
SCHEMBL5730270 0.76 ALDH1A1 (0.67) ALDH1A1TDP1CYP3A4KDM4EMAPT

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
EP-0854168-A1 Rubber composition Bridgestone Corporation (JP) 1998-07-22 EP disclosed