SCHEMBL7818709

SCHEMBL7818709

C1=CC(c2ccccc2)(c2ccc3c(c2)CCCN3)Oc2ccc3ccccc3c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL7818422 0.95 ALDH1A1 (0.39) KDM4EMAPTALDH1A1LMNAGAA
SCHEMBL1387871 0.81 NPC1 (0.38) KDM4EMAPTALDH1A1LMNAGAA
SCHEMBL9056690 0.80 KDM4E (0.44) KDM4EMAPTALDH1A1LMNAGAA
SCHEMBL30284405 0.80 KDM4E (0.50) KDM4EMAPTALDH1A1LMNAGAA
SCHEMBL361847 0.80 KDM4E (0.50) KDM4EMAPTALDH1A1LMNAGAA
SCHEMBL1387642 0.77 ALDH1A1 (0.40) KDM4EMAPTALDH1A1LMNAGAA
SCHEMBL2517095 0.76 KDM4E (0.45) KDM4EMAPTALDH1A1LMNAGAA
SCHEMBL9104399 0.74 KDM4E (0.40) KDM4EMAPTALDH1A1LMNAGAA
SCHEMBL16275873 0.73 SMN1; SMN2 (0.37) KDM4EMAPTALDH1A1LMNAGAA
SCHEMBL13220106 0.73 HTT (0.39) KDM4EMAPTALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0704067-B1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG IND OHIO INC (US) 2001-08-01 EP disclosed
EP-0704067-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1996-04-03 EP disclosed
EP-0704067-A4 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES INC (US) 1996-02-02 EP disclosed
US-5458815-A Photochromic naphthopyran compounds TRANSITIONS OPTICAL, INC. (US) 1995-10-17 US disclosed
US-5384077-A Naphthopyrans TRANSITIONS OPTICAL, INC. (US) 1995-01-24 US disclosed
WO-1995000866-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1995-01-05 WO disclosed