SCHEMBL28241083

SCHEMBL28241083

CSc1ccc(CCCN2CCOCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.64
▸ POLB P06746 2/20 0.64
▸ HTT P42858 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ THRA P10827 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ KDM1A O60341 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ HRH3 Q9Y5N1 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SCN1A P35498 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ SCN2A Q99250 1/20 0.44
▸ SCN3A Q9NY46 1/20 0.44

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
SCHEMBL12765222 0.82 SIGMAR1 (0.70) SIGMAR1POLBHTTKMT2ATHRA
SCHEMBL21024457 0.82 SIGMAR1 (0.70) SIGMAR1POLBHTTKMT2ATHRA
SCHEMBL21884103 0.80 HRH3 (0.65) KMT2AHRH3ALDH1A1MAPK1
SCHEMBL11392699 0.79 POLB (0.55) SIGMAR1POLBHTTKMT2ATHRA
SCHEMBL427230 0.79 SIGMAR1 (0.70) SIGMAR1POLBHTTKMT2ATHRA
SCHEMBL2249610 0.79 SIGMAR1 (0.70) SIGMAR1POLBHTTKMT2ATHRA
SCHEMBL1909300 0.79 SIGMAR1 (0.70) SIGMAR1POLBHTTKMT2ATHRA
SCHEMBL1711070 0.78 SIGMAR1 (1.00) SIGMAR1POLBHTTKMT2A
SCHEMBL21479290 0.78 SIGMAR1 (0.64) SIGMAR1POLBHTTKMT2ATHRA
SCHEMBL20797123 0.76 SIGMAR1 (0.81) SIGMAR1POLBHTTKMT2AHRH3

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-103309155-B Colored curable resin composition 住友化学株式会社 2018-12-28 — — CN disclosed
CN-108690372-A Isoindoline pigment and method for producing same 住友化学株式会社 2018-10-23 — — CN disclosed
CN-108398739-A POLARIZING FILM, CIRCULARLY POLARIZING PLATE AND DISPLAY DEVICE 住友化学株式会社 2018-08-14 — — CN disclosed
CN-108241258-A Liquid crystal display device resin combination, liquid crystal display device film and copolymer 住友化学株式会社 2018-07-03 — — CN disclosed
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