SCHEMBL6286439

SCHEMBL6286439

CCc1[c]c(-c2ccccc2)ccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
DHFR P00374 1/20 0.33
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TAAR1 Q96RJ0 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL721411 0.83 TP53 (0.36) TP53DHFRHEXAHEXBALDH1A1
SCHEMBL7311782 0.79 ALDH1A1 (0.36) ALDH1A1TAAR1
SCHEMBL28033340 0.79 TAAR1 (0.45) ALDH1A1TAAR1
SCHEMBL4757375 0.79 KDM4E (0.45) TAAR1MAPT
SCHEMBL17697662 0.78 CALM1 (0.42) ALDH1A1TAAR1MAPTSMN1; SMN2L3MBTL1
SCHEMBL379055 0.77 ALDH1A1 (0.47) ALDH1A1TAAR1MAPT
SCHEMBL177278 0.77 GABRA1 (0.38) TP53
SCHEMBL4457527 0.75 KDM4E (0.33) TP53DHFRHEXAHEXBALDH1A1
SCHEMBL15756039 0.75 GABRA1 (0.35) PTGS2L3MBTL1
SCHEMBL11176371 0.75 GABRA1 (0.38) ALDH1A1MAPTSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110845649-A Polymer, organic layer composition and method of forming pattern 三星SDI株式会社 2020-02-28 CN disclosed
US-6929872-B2 Organic electroluminescent devices NIPPON STEEL CHEMICAL CO., LTD. (JP) 2005-08-16 US disclosed
US-20040028944-A1 Organic electroluminescent devices NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2004-02-12 US disclosed
US-4371726-A Composition suitable for mechanical power transmission and process for operating traction drives NIPPON STEEL CHEMICAL CO., LTD. (JP) 1983-02-01 US disclosed