SCHEMBL24301043

SCHEMBL24301043

Cc1ccc(-c2cc(F)c(-c3ccc(OCC4CCCC4)s3)c(F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.36
▸ PARP10 Q53GL7 2/20 0.33
▸ PTGS2 P35354 3/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ FFAR4 Q5NUL3 2/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ PARP15 Q460N3 1/20 0.32
▸ SCN9A Q15858 1/20 0.31

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
SCHEMBL24300948 0.87 KDM1A (0.39) KDM1APARP10PTGS2PTGS1FFAR4
SCHEMBL24300679 0.87 NPC1 (0.32) PARP10PTGS2PTGS1FFAR4
SCHEMBL27410213 0.86 EP300 (0.34) KDM1APARP10PTGS2PTGS1FFAR4
SCHEMBL24300973 0.85 KDM1A (0.39) KDM1APARP10FFAR4MAOBGRM2
SCHEMBL27410211 0.84 EP300 (0.35) KDM1AFFAR4
SCHEMBL24300972 0.82 KDM1A (0.40) KDM1AFFAR4MAOBGRM2
SCHEMBL27027789 0.82 MAOB (0.34) PTGS2PTGS1FFAR4MAOB
SCHEMBL24300698 0.80 KDM1A (0.37) KDM1APTGS2PTGS1MAOB
SCHEMBL27027777 0.80 S1PR1 (0.31) FFAR4MAOB
SCHEMBL24300958 0.78 KDM1A (0.37) KDM1AGRM2SCN9A

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
EP-4306614-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2024-01-17 — — EP disclosed
WO-2022068499-A1 THIOPHENE-CONTAINING LIQUID CRYSTAL COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 北京八亿时空液晶科技股份有限公司 2022-04-07 — — WO disclosed
Send feedback