SCHEMBL3221672

SCHEMBL3221672

C[S+](C)CC(=O)c1ccc2ccccc2c1.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
PTPN1 P18031 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HDAC1 Q13547 4/20 0.40
HDAC3 O15379 2/20 0.40
HDAC2 Q92769 2/20 0.40
HSD17B14 Q9BPX1 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CBX7 O95931 1/20 0.37
CDYL Q9Y232 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL3922151 0.86 PTPN1 (0.61) SMN1; SMN2KDM4EHPGDPTPN1NPC1
SCHEMBL3222643 0.82 PTPN1 (0.50) SMN1; SMN2KDM4EHPGDPTPN1NPC1
SCHEMBL2393058 0.75 CES2 (0.42) SMN1; SMN2KDM4EHPGDPTPN1NPC1
SCHEMBL561093 0.75 ALDH1A1 (0.61) SMN1; SMN2KDM4EHPGDPTPN1NPC1
SCHEMBL564962 0.70 HPGDS (0.53) HPGDALDH1A1MEN1KMT2A
SCHEMBL28907353 0.69 SMN1; SMN2 (0.63) SMN1; SMN2KDM4EHPGDPTPN1NPC1
SCHEMBL13715355 0.68 PTPN1 (0.67) SMN1; SMN2KDM4EHPGDPTPN1NPC1
SCHEMBL1317943 0.68 SMN1; SMN2 (0.72) SMN1; SMN2KDM4EHPGDPTPN1NPC1
SCHEMBL30623333 0.68 SMN1; SMN2 (0.72) SMN1; SMN2KDM4EHPGDPTPN1NPC1
SCHEMBL1974978 0.68 PTPN1 (0.71) SMN1; SMN2KDM4EHPGDPTPN1NPC1

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-8200058-B2 Light guide and light guide structure SUMITOMO BAKELITE COMPANY, LTD. (JP) 2012-06-12 US disclosed
US-20100067861-A1 LIGHT GUIDE AND LIGHT GUIDE STRUCTURE SUMITOMO BAKELITE COMPANY LIMITED (JP) 2010-03-18 US disclosed