SCHEMBL12333038

SCHEMBL12333038

BCC(=O)c1ccc(-c2ccc(B)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ LMNA P02545 2/20 0.42
▸ FFAR1 O14842 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HAO1 Q9UJM8 4/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ERCC5 P28715 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ MMP2 P08253 4/20 0.41
▸ MMP9 P14780 4/20 0.41
▸ MMP8 P22894 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SRD5A2 P31213 1/20 0.40

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
SCHEMBL12300577 0.93 GSK3B (0.38) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL12819956 0.91 SMN1; SMN2 (0.50) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL12333039 0.83 SMN1; SMN2 (0.44) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL13557299 0.81 GSK3B (0.68) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL12333578 0.77 HSD17B1 (0.64) SMN1; SMN2MAPTL3MBTL1LMNARAB9A
SCHEMBL12647724 0.76 PTPN1 (0.44) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL12153522 0.75 NPC1 (0.60) MAPTL3MBTL1PTPN1LMNARAB9A
SCHEMBL13460757 0.75 KDM4E (0.41) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL26038101 0.75 BCL2L1 (0.60) LMNARAB9AKDM4ESRD5A2
SCHEMBL12521014 0.74 PTPN1 (0.46) SMN1; SMN2MAPTPTPN1CYP1A2RAB9A

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
WO-2011119853-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-29 — — WO disclosed
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