SCHEMBL936239

SCHEMBL936239

Cc1cccc2[nH]cc(SC(C)C(=O)O)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
GPR84 Q9NQS5 1/20 0.43
RXFP1 Q9HBX9 3/20 0.41
PRNP P04156 2/20 0.41
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
APAF1 O14727 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ITGB2 P05107 2/20 0.39
ICAM1 P05362 2/20 0.39
ITGAL P20701 2/20 0.39
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAP2K7 O14733 1/20 0.38
ELANE P08246 1/20 0.38
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38

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
SCHEMBL936096 0.86 GPR84 (0.41) SMN1; SMN2GPR84KDM4EPOLBAPAF1
SCHEMBL935459 0.83 ALDH1A1 (0.42) SMN1; SMN2GPR84KDM4EPOLBAPAF1
SCHEMBL957431 0.83 GPR84 (0.41) GPR84KDM4EPOLBAPAF1MAPT
SCHEMBL935339 0.83 GPR84 (0.41) GPR84KDM4EPOLBAPAF1MAPT
SCHEMBL955533 0.83 GPR84 (0.41) GPR84KDM4EPOLBAPAF1MAPT
SCHEMBL935586 0.82 POLB (0.51) GPR84KDM4EPOLBAPAF1MAPT
SCHEMBL10851243 0.81 POLB (0.52) SMN1; SMN2GPR84KDM4EPOLBAPAF1
SCHEMBL936027 0.80 GPR84 (0.42) GPR84KDM4EPOLBAPAF1MAPT
SCHEMBL936364 0.80 POLB (0.46) GPR84KDM4EPOLBMAPTRECQL
SCHEMBL935380 0.77 ACE (0.41) POLBITGB2ICAM1ITGALGFER

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-2011010748-A1 INDOLE DERIVATIVE AND SALTINESS-STRENGTHENING AGENT CONTAINING THE DERIVATIVE 味の素株式会社 (JP) 2011-01-27 WO disclosed