SCHEMBL26512971

SCHEMBL26512971

CCC1(CC)c2ccccc2-c2c1c1c(c3cc(OC)c(OC)cc23)OC(c2ccc(F)cc2)(c2nc(-c3ccccc3)c3ccccc3n2)C=C1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
HSP90AA1 P07900 1/20 0.31
SCN9A Q15858 1/20 0.31
WHR1 P49842 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
SCHEMBL26512865 0.92 SCN9A (0.33) SCN9A
SCHEMBL26512969 0.92 WHR1 (0.38) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL26512710 0.91 HSP90AA1 (0.33) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL26512984 0.90 MEN1 (0.31) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL26512924 0.90 HSP90AA1 (0.31) HSP90AA1WHR1
SCHEMBL26512972 0.89 MAPT (0.34) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL26512977 0.87
SCHEMBL26512920 0.87 ABCG2 (0.31) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL26512983 0.85 MEN1 (0.32) KDM4EMEN1ALDH1A1KMT2AHSP90AA1
SCHEMBL25600051 0.83 PDK2 (0.30)

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