SCHEMBL7122488

SCHEMBL7122488

Cc1ccc(C2(c3ccccc3)C=Cc3c(ccc4cc(Br)ccc34)O2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 5/20 0.37
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2A6 P11509 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL7263829 0.93 SIRT2 (0.38) SIRT2HTTSMN1; SMN2SIRT1KDM4E
SCHEMBL22169523 0.86
SCHEMBL7126396 0.84 CYP1A2 (0.36) HTTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL32681602 0.84 KDM4E (0.37) SIRT2HTTSMN1; SMN2SIRT1KDM4E
SCHEMBL20565609 0.81 KDM4E (0.31) HTTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL20565372 0.78 GPR84 (0.32)
SCHEMBL4253743 0.78 APP (0.37) HTTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL5264237 0.77 CYP1A2 (0.41) HTTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL361847 0.77 KDM4E (0.50) HTTSMN1; SMN2SIRT1KDM4EMEN1
SCHEMBL25106834 0.76 MEN1 (0.33) SMN1; SMN2KDM4EMEN1GAAMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628064-B2 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2003-12-10 EP disclosed
EP-0628064-B1 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 1999-04-07 EP disclosed
EP-0628064-A4 PHOTOCHROMIC NAPHTHOPYRANS. PPG INDUSTRIES INC (US) 1995-02-08 EP disclosed
EP-0628064-A1 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 1994-12-14 EP disclosed
US-5369158-A And polymer TRANSITIONS OPTICAL, INC. (US) 1994-11-29 US disclosed
WO-1993017071-A1 PHOTOCHROMIC NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1993-09-02 WO disclosed
US-5238981-A PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 1993-08-24 US disclosed