SCHEMBL6669907

SCHEMBL6669907

CCc1cccc[n+]1CCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
KCNH2 Q12809 3/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
Bromide SCHEMBL6568586 0.98 NPC1 (0.43) TP53KCNH2NPC1POLBRAB9A
Sulfuric Acid SCHEMBL11632992 0.91 MEN1 (0.40) TP53KCNH2POLBMEN1KMT2A
Bromide SCHEMBL8025979 0.88 TP53 (0.45) TP53KCNH2NPC1POLBRAB9A
SCHEMBL5297992 0.84 KCNH2 (0.49) TP53KCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL5295154 0.84 KCNH2 (0.49) TP53KCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL29561039 0.82 NPC1 (0.46) KCNH2NPC1POLBRAB9ASMN1; SMN2
SCHEMBL329217 0.82 NPC1 (0.46) KCNH2NPC1POLBRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL30330888 0.80 SMN1; SMN2 (0.45) KCNH2NPC1POLBRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL9327469 0.80 SMN1; SMN2 (0.45) KCNH2NPC1POLBRAB9ASMN1; SMN2
SCHEMBL4070108 0.80 SMN1; SMN2 (0.53) TP53KCNH2NPC1POLBRAB9A

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
EP-0925528-B1 IMAGE-RECEIVING ELEMENTS POLAROID CORP (US) 2004-09-22 EP disclosed