SCHEMBL15524969

SCHEMBL15524969

O=C(CCc1ccccc1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.77
NPC1 O15118 2/20 0.77
RAB9A P51151 2/20 0.77
CASP3 P42574 1/20 0.77
SENP8 Q96LD8 1/20 0.77
SENP7 Q9BQF6 1/20 0.77
SENP6 Q9GZR1 1/20 0.77
KEAP1 Q14145 1/20 0.64
MAPT P10636 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
LMNA P02545 1/20 0.61
NR4A2 P43354 1/20 0.61
DPP4 P27487 1/20 0.59
ALDH1A1 P00352 3/20 0.59
FFAR1 O14842 1/20 0.59
GAA P10253 2/20 0.56
SLC5A1 P13866 1/20 0.56
SLC5A2 P31639 1/20 0.56
MAPK1 P28482 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56

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
SCHEMBL28251466 1.00 TDP1 (0.77) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL30572 1.00 TDP1 (0.77) TDP1NPC1RAB9ACASP3SENP8
Hydrochloric Acid SCHEMBL27556767 0.98 TDP1 (0.74) TDP1NPC1RAB9ACASP3SENP8
Alcohol SCHEMBL11308928 0.92 NPC1 (0.67) TDP1NPC1RAB9ACASP3SENP8
Sulfamate SCHEMBL11404511 0.89 NPC1 (0.62) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL13386872 0.88 ALDH1A1 (0.69) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL4217497 0.88 DPP4 (0.77) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL7754574 0.88 NPC1 (0.67) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL657122 0.88 FFAR1 (0.69) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL1985867 0.88 NPC1 (0.62) TDP1NPC1RAB9ACASP3SENP8

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
EP-2838927-A2 SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE BASF SE (DE) 2015-02-25 EP disclosed
WO-2013156509-A2 SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE BASF SE (DE) 2013-10-24 WO disclosed