SCHEMBL11229464

SCHEMBL11229464

CCOC(=O)Cc1ccc2c(c1)sc1ccc(Br)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
JAK2 O60674 1/20 0.40
PAK4 O96013 1/20 0.40
NTRK1 P04629 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
MET P08581 1/20 0.40
PDGFRB P09619 1/20 0.40
PIM1 P11309 1/20 0.40
FGFR1 P11362 1/20 0.40
PRKACA P17612 1/20 0.40

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
SCHEMBL11236909 0.88 L3MBTL1 (0.50) SMN1; SMN2NPC1PKMNFKB1RAB9A
SCHEMBL11242928 0.85 SMN1; SMN2 (0.47) SMN1; SMN2NPC1PKMNFKB1RAB9A
SCHEMBL11237145 0.85 NPC1 (0.47) SMN1; SMN2NPC1PKMNFKB1RAB9A
SCHEMBL11242199 0.84 SMN1; SMN2 (0.54) SMN1; SMN2NPC1PKMNFKB1RAB9A
Methane SCHEMBL11228447 0.84 NPC1 (0.46) SMN1; SMN2NPC1PKMNFKB1RAB9A
Methane SCHEMBL11238637 0.83 SMN1; SMN2 (0.53) SMN1; SMN2NPC1PKMNFKB1RAB9A
SCHEMBL11237200 0.83 ALDH1A1 (0.46) SMN1; SMN2NPC1PKMNFKB1RAB9A
SCHEMBL11248260 0.83 NPC1 (0.46) SMN1; SMN2NPC1PKMNFKB1RAB9A
Butane SCHEMBL11229487 0.83 NPC1 (0.46) SMN1; SMN2NPC1PKMNFKB1RAB9A
SCHEMBL11249067 0.82 L3MBTL1 (0.46) SMN1; SMN2NPC1PKMNFKB1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4334078-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIRHEUMATICS HOFFMANN-LA ROCHE INC. (US) 1982-06-08 US disclosed
US-4219657-A USED AS ANTIINFLAMATORY AGENTS, ANALGESICS, ANTIRHEUMATIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-08-26 US disclosed