SCHEMBL8634248

SCHEMBL8634248

CCOc1cccc2sc(S[N])nc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
KMT2A Q03164 6/20 0.58
MAPT P10636 5/20 0.58
KDM4E B2RXH2 4/20 0.58
MEN1 O00255 4/20 0.58
MAPK1 P28482 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
PKM P14618 1/20 0.58
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
DUSP3 P51452 1/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 3/20 0.45
LMNA P02545 2/20 0.42
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSD17B10 Q99714 1/20 0.41
F2RL3 Q96RI0 1/20 0.40
RAD52 P43351 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
SCHEMBL6689165 0.88 ALDH1A1 (0.66) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL6898848 0.88 ALDH1A1 (0.66) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL8635308 0.83 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL6692259 0.82 ALDH1A1 (0.58) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL6693674 0.80 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL6661729 0.78 ALDH1A1 (0.69) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL3455462 0.77 TDP1 (0.69) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL6689028 0.77 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL6690900 0.75 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTKDM4EMEN1
SCHEMBL6899949 0.75 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTKDM4EMEN1

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