SCHEMBL9842956

SCHEMBL9842956

Sn1cnc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD3 Q9BZ95 1/20 0.51
PTGS2 P35354 4/20 0.50
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.45
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
FRK P42685 1/20 0.43
MAPK9 P45984 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
GSK3B P49841 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
MAP4K5 Q9Y4K4 1/20 0.43
ADORA2A P29274 1/20 0.38
FAAH O00519 2/20 0.38
ALOX15 P16050 1/20 0.37
PDE10A Q9Y233 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL5574792 0.78 NSD3 (0.55) NSD3PTGS2TSHRLMNAPRKD3
SCHEMBL1009513 0.75 NSD3 (0.83) NSD3PTGS2TSHRLMNAPRKD3
SCHEMBL5720398 0.73 FAAH (0.56) NSD3PTGS2TSHRLMNAFAAH
SCHEMBL29874438 0.73 NSD3 (0.80) NSD3PTGS2TSHRLMNAPRKD3
SCHEMBL11335769 0.72 PTGS2 (0.51) NSD3PTGS2TSHRLMNAPRKD3
SCHEMBL11096496 0.72 NSD3 (0.53) NSD3PTGS2TSHRLMNAPRKD3
SCHEMBL4805174 0.71 PTGS2 (0.63) NSD3PTGS2TSHRLMNAPRKD3
SCHEMBL5748234 0.71 MAPK14 (0.60) NSD3PTGS2TSHRLMNACSNK1D
SCHEMBL20466312 0.71 MAPK14 (0.60) NSD3PTGS2TSHRLMNAPRKD3
SCHEMBL15458774 0.71 MAPK13 (0.60) NSD3PTGS2TSHRLMNAPRKD3

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-0442448-A2 Heterocyclic carboxylic acids and esters Bristol-Myers Squibb Company (US) 1991-08-21 EP disclosed