SCHEMBL2184879

SCHEMBL2184879

O=C(C[S+]1CCCCC1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
PTPN1 P18031 1/20 0.48
HTR7 P34969 1/20 0.43
PLOD2 O00469 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CTNNB1 P35222 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL6117602 0.98 NPC1 (0.50) NPC1RAB9APTPN1HTR7PLOD2
SCHEMBL106663 0.81 NPC1 (0.48) NPC1RAB9APTPN1CA1CA2
SCHEMBL685958 0.81 KMT2A (0.48) NPC1RAB9APTPN1PLOD2CES1
SCHEMBL10122613 0.80 GSK3B (0.52) NPC1RAB9ACES2CES1CA1
SCHEMBL10122612 0.80 GSK3B (0.52) NPC1RAB9ACES2CES1CA1
SCHEMBL686324 0.80 GSK3B (0.50) NPC1RAB9ACES2CES1CTNNB1
SCHEMBL98167 0.79 KMT2A (0.50) NPC1RAB9APTPN1PLOD2CES1
Bromide SCHEMBL2521756 0.79 GSK3B (0.48) NPC1RAB9ACES2CES1CTNNB1
SCHEMBL686330 0.79 MMP2 (0.38) NPC1RAB9ACA1CA2SMN1; SMN2
SCHEMBL10122618 0.78 CES2 (0.50) NPC1RAB9ACES2CES1CTNNB1

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-8524440-B2 Photoresist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-03 US disclosed
US-20110165513-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY LTD (JP) 2011-07-07 US disclosed