SCHEMBL21608694

SCHEMBL21608694

CCCCN(CCCC)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(N(CCCC)CCCC)cc5)s4)c4nsnc34)s2)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.34
▸ AR P10275 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ INSR P06213 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ CHRM2 P08172 1/20 0.30
▸ CHRM4 P08173 1/20 0.30
▸ CHRM5 P08912 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ CHRM3 P20309 1/20 0.30
▸ NR1H2 P55055 1/20 0.30
▸ NR1H3 Q13133 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
SCHEMBL18418544 0.86 APP (0.37) APPMEN1KMT2ATSHRALDH1A1
SCHEMBL25070317 0.86 EGFR (0.38) AREGFRERBB2INSRALDH1A1
SCHEMBL25070593 0.85 ESR1 (0.35) ARALDH1A1
SCHEMBL29332168 0.79 INSR (0.35) INSRCNR2
SCHEMBL352860 0.79 NR1H2 (0.43) APPARTSHRALDH1A1NR1H2
SCHEMBL25070495 0.79 APP (0.56) APPMEN1KMT2ATSHRALDH1A1
SCHEMBL2671959 0.78 CYP2D6 (0.50) APPALDH1A1
SCHEMBL25070310 0.78 ELANE (0.34) MEN1KMT2AATMALDH1A1
SCHEMBL24991298 0.77 — —
SCHEMBL18386374 0.77 CNR2 (0.30) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043782-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 — — US disclosed
US-12043782-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 — — US disclosed
WO-2023094404-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2023-06-01 — — WO disclosed
US-20230053362-A1 DICHROIC DYE COMPOSITION MERCK PATENT GMBH (DE) 2023-02-23 — — US disclosed
WO-2019243216-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-12-26 — — WO disclosed
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