SCHEMBL7731732

SCHEMBL7731732

C1=CC(c2ccccc2)(c2ccccc2-c2cn[nH]c2)Oc2ccc3ccccc3c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDK2 Q15119 2/20 0.34
AKT2 P31751 2/20 0.33
AKT1 P31749 2/20 0.33
CLK2 P49760 3/20 0.32
HIPK1 Q86Z02 3/20 0.32
HIPK2 Q9H2X6 3/20 0.32
HIPK3 Q9H422 3/20 0.32
CLK4 Q9HAZ1 3/20 0.32

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
SCHEMBL2126375 0.77 ALDH1A1 (0.54) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL361847 0.77 KDM4E (0.50) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL30284405 0.77 KDM4E (0.50) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL2517095 0.74 KDM4E (0.45) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL8881998 0.73 KDM4E (0.46) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL7731743 0.72 KDM4E (0.41) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL9251027 0.70 MAPT (0.40) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL9056690 0.70 KDM4E (0.44) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL8681140 0.70 ALDH1A1 (0.49) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL5615321 0.70 SMN1; SMN2 (0.43) KDM4EMEN1NPC1ALDH1A1LMNA

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-6478988-B1 Photochromic substituted naphthopyran compounds BMC VISION-EASE LENS, INC. 2002-11-12 US disclosed
EP-1016702-A2 Photochromic substituted naphthopyran compounds BMC Vision-Ease Lens Inc. (US) 2000-07-05 EP disclosed