SCHEMBL9849539

SCHEMBL9849539

CCO[n+]1ccccc1C.CCO[n+]1ccccc1C.CCO[n+]1ccccc1C.CCO[n+]1ccccc1C.CCO[n+]1ccccc1C.CCO[n+]1ccccc1C.CCO[n+]1ccccc1C.CCO[n+]1ccccc1C.CCO[n+]1ccccc1C.CCO[n+]1ccccc1C.CCO[n+]1ccccc1C.CCO[n+]1ccccc1C.O=[As]([O-])([O-])F.O=[As]([O-])([O-])F.O=[As]([O-])([O-])F.O=[As]([O-])([O-])F.O=[As]([O-])([O-])F.O=[As]([O-])([O-])F

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL2327075 0.86 NPC1 (0.39) NPC1POLBRAB9ASMN1; SMN2GABRG2
Iodide SCHEMBL5760651 0.84 NPC1 (0.38) NPC1POLBRAB9ASMN1; SMN2GABRG2
Bromide SCHEMBL9623049 0.84 NPC1 (0.42) NPC1POLBRAB9ASMN1; SMN2GABRG2
SCHEMBL9622921 0.83 SMN1; SMN2 (0.35) NPC1POLBRAB9ASMN1; SMN2GABRG2
SCHEMBL29743232 0.83 NPC1 (0.35) NPC1POLBRAB9ASMN1; SMN2GABRG2
SCHEMBL9623239 0.76 LMNA (0.43) SMN1; SMN2
SCHEMBL9622389 0.74 KDM4E (0.41) POLB
SCHEMBL565939 0.73 TACR1 (0.33)
SCHEMBL9623269 0.73 KDM4E (0.40)
SCHEMBL10700976 0.73 KDM4E (0.40)

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-0441232-A2 Cationic photopolymerisation process BASF Aktiengesellschaft (DE) 1991-08-14 EP disclosed