SCHEMBL25844127

SCHEMBL25844127

Cc1ccc2c(c1)C(C)(C)c1c3c(c4ccccc4c1-2)OC(c1ccc(F)cc1)(c1ccc(N2CCOCC2)cc1)C=C3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
ALK Q9UM73 1/20 0.34
PIK3CA P42336 6/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDK2 Q15119 1/20 0.32
PIK3CD O00329 3/20 0.32
PIK3CB P42338 3/20 0.32
PSMD14 O00487 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 1/20 0.31
PIK3CG P48736 1/20 0.31
GAA P10253 2/20 0.30
TP53 P04637 1/20 0.30
NPC1 O15118 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
SCHEMBL25844147 0.96 ALK (0.36) MAPTMEN1LMNAKMT2AALK
SCHEMBL25844095 0.94 MAPT (0.34) MAPTLMNAALKKDM4ENPC1
SCHEMBL25603872 0.94 PIK3CA (0.33) MAPTMEN1LMNAKMT2AALK
SCHEMBL25844138 0.94 MAPT (0.35) MAPTMEN1LMNAKMT2AALK
SCHEMBL25844150 0.92 SLC6A2 (0.35) MAPTMEN1LMNAKMT2AALK
SCHEMBL9926884 0.91 MAPT (0.36) MAPTMEN1LMNAKMT2APIK3CA
SCHEMBL3145461 0.91 PDK2 (0.34) MAPTMEN1LMNAKMT2APIK3CA
SCHEMBL25844142 0.91 ALK (0.33) MAPTMEN1LMNAKMT2AALK
SCHEMBL25844116 0.91 PDK2 (0.34) MAPTMEN1LMNAKMT2AALK
SCHEMBL25601562 0.91 PDK2 (0.34) MAPTPIK3CANPSR1PDK2PSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227717-A1 PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE, AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-07-20 US disclosed