SCHEMBL20032403

SCHEMBL20032403

CCCCC1(CCCC)c2ccccc2-c2ccc(C(=O)/C(C)=N/OC(=O)I)cc21

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 12/20 0.38
▸ APEX1 P27695 1/20 0.36
▸ CYP2C19 P33261 1/20 0.33
▸ HTR7 P34969 3/20 0.32
▸ HTR2B P41595 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
SCHEMBL20032406 0.94 APEX1 (0.37) PDK2APEX1HTR7HTR2B
SCHEMBL18235853 0.93 PDK2 (0.39) PDK2APEX1CYP2C19HTR7HTR2B
SCHEMBL26818789 0.93 PDK2 (0.39) PDK2APEX1CYP2C19HTR7HTR2B
SCHEMBL18235857 0.91 PDK2 (0.37) PDK2APEX1CYP2C19HTR7HTR2B
SCHEMBL20032514 0.90 PDK2 (0.39) PDK2APEX1CYP2C19
SCHEMBL18235859 0.90 APEX1 (0.37) PDK2APEX1CYP2C19
SCHEMBL18235865 0.90 APEX1 (0.37) PDK2APEX1CYP2C19
SCHEMBL20032407 0.89 PDK2 (0.38) PDK2APEX1HTR7HTR2B
SCHEMBL18235856 0.89 KMT2A (0.39) PDK2APEX1CYP2C19
SCHEMBL18235858 0.88 KMT2A (0.38) PDK2APEX1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820932-B2 Polymerisable liquid crystal material and polymerised liquid crystal film MERCK PATENT GMBH (DE) 2023-11-21 — — US disclosed
EP-3668948-B1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2023-10-25 — — EP disclosed
EP-3519533-B1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2020-12-16 — — EP disclosed
US-20200199453-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2020-06-25 — — US disclosed
US-20190218459-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2019-07-18 — — US disclosed
WO-2019034590-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2019-02-21 — — WO disclosed
WO-2018060110-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2018-04-05 — — WO disclosed
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