SCHEMBL3238398

SCHEMBL3238398

Cc1sc(N2CCC(C(=O)O)CC2)nc1-c1ccccc1OCc1ccc(CCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CD274 Q9NZQ7 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
S1PR5 Q9H228 3/20 0.39
POLB P06746 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
PTGER1 P34995 2/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
LMNA P02545 1/20 0.37
S1PR1 P21453 1/20 0.37

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
SCHEMBL3235310 0.89 SMN1; SMN2 (0.42) SMN1; SMN2TP53KMT2ACD274NPC1
SCHEMBL3231465 0.89 ALDH1A1 (0.44) SMN1; SMN2TP53CD274RAB9AMAPT
SCHEMBL3233338 0.87 SMN1; SMN2 (0.41) SMN1; SMN2TP53MEN1KMT2ACD274
SCHEMBL3230749 0.86 SMN1; SMN2 (0.40) SMN1; SMN2TP53MEN1KMT2ACD274
SCHEMBL3233720 0.81 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9APOLBPTGER1
SCHEMBL3231470 0.80 TP53 (0.48) SMN1; SMN2TP53MEN1KMT2AMAPT
SCHEMBL3995327 0.77 GUCY1B2 (0.47) SMN1; SMN2CD274NPC1RAB9AS1PR5
SCHEMBL3238099 0.77 HPGD (0.41) SMN1; SMN2TP53MEN1KMT2ACD274
SCHEMBL3230733 0.76 LTA4H (0.40) SMN1; SMN2TP53MEN1KMT2ACD274
SCHEMBL3231553 0.76 SMN1; SMN2 (0.46) SMN1; SMN2TP53MEN1KMT2ANPC1

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
WO-2010015652-A2 THIAZOLE COMPOUNDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed