SCHEMBL26512801

SCHEMBL26512801

CCC1(CC)c2ccccc2-c2c1c1c(c3ccccc23)OC(c2ccc(N3CCOCC3)cc2)(c2nc(OC)nc(OC)n2)C=C1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK10 O94804 1/20 0.31
SLK Q9H2G2 1/20 0.31
RAF1 P04049 1/20 0.31
BRAF P15056 1/20 0.31
PIK3CA P42336 2/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPK1 P28482 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
FYN P06241 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
SCHEMBL26512907 0.93 STK10 (0.33) STK10SLKRAF1BRAFPIK3CA
SCHEMBL26513017 0.90 STK10 (0.33) STK10SLKRAF1BRAFPIK3CA
SCHEMBL26512805 0.89 PIK3CA (0.32) PIK3CAKDM4EALDH1A1MAPTHPGD
SCHEMBL26627991 0.89 PDK2 (0.33) KDM4ENPC1ALDH1A1MAPTHPGD
SCHEMBL26512764 0.89 MAPT (0.34) PIK3CAKDM4ENPC1ALDH1A1LMNA
SCHEMBL26627990 0.88 RAB9A (0.36) STK10SLKPIK3CAKDM4EALDH1A1
SCHEMBL26512777 0.88 MAPT (0.40) PIK3CAKDM4ENPC1ALDH1A1LMNA
SCHEMBL26512802 0.88
SCHEMBL26512868 0.87 MAPT (0.35) PIK3CAKDM4ENPC1ALDH1A1LMNA
SCHEMBL25600645 0.85 HTR7 (0.33) MAPTSMN1; SMN2

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-20230323197-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-10-12 US disclosed
US-20230323197-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-10-12 US disclosed