SCHEMBL11694397

SCHEMBL11694397

CCn1c(C(C)C(=O)O)csc1=Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.50
MAPT P10636 6/20 0.50
ALDH1A1 P00352 5/20 0.50
LMNA P02545 5/20 0.50
RAB9A P51151 4/20 0.50
MAPK1 P28482 4/20 0.50
NPC1 O15118 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
GAA P10253 2/20 0.50
RECQL P46063 1/20 0.49
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
EGLN1 Q9GZT9 1/20 0.46
HSD17B10 Q99714 1/20 0.44
ALDH2 P05091 1/20 0.44
ALDH3A1 P30838 1/20 0.44
TP53 P04637 2/20 0.43

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
SCHEMBL11694394 1.00 SMN1; SMN2 (0.50) SMN1; SMN2MAPTALDH1A1LMNARAB9A
SCHEMBL11693417 0.85 EGLN1 (0.42) SMN1; SMN2MAPTALDH1A1LMNARAB9A
SCHEMBL11693418 0.85 EGLN1 (0.42) SMN1; SMN2MAPTALDH1A1LMNARAB9A
SCHEMBL11690502 0.84 MAPT (0.42) SMN1; SMN2MAPTALDH1A1LMNARAB9A
SCHEMBL11690506 0.84 MAPT (0.42) SMN1; SMN2MAPTALDH1A1LMNARAB9A
SCHEMBL11696110 0.82 MAPK1 (0.55) SMN1; SMN2MAPTALDH1A1LMNARAB9A
SCHEMBL11692201 0.82 MAPK1 (0.55) SMN1; SMN2MAPTALDH1A1LMNARAB9A
SCHEMBL11692408 0.81 MAPK1 (0.54) SMN1; SMN2MAPTALDH1A1LMNARAB9A
SCHEMBL11696289 0.79 CA12 (0.43) SMN1; SMN2MAPTALDH1A1LMNARAB9A
SCHEMBL11696285 0.79 CA12 (0.43) SMN1; SMN2MAPTALDH1A1LMNARAB9A

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
US-4018785-A ANTIINFLAMMATORY, ANTIRHEUMATIC, ANALGESIC, ANTIPYRETIC SHIONOGI & CO., LTD. (JA) 1977-04-19 US disclosed