SCHEMBL23625544

SCHEMBL23625544

CC(C)c1ccc(-c2cccc(-c3ccc(C#N)cc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.43
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA3 P42263 1/20 0.43
GRIA4 P48058 1/20 0.43
PTPN5 P54829 1/20 0.43
KIF11 P52732 3/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
MMP3 P08254 1/20 0.42
ERBB2 P04626 1/20 0.41
MARK3 P27448 1/20 0.41
GSK3A P49840 1/20 0.41

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
SCHEMBL24726522 0.89 RXRA (0.54) CYP11B2GRIA1GRIA2GRIA3GRIA4
SCHEMBL12919972 0.89 ADAMTS4 (0.48) PTPN5PSEN1PSEN2APH1BNCSTN
SCHEMBL12263202 0.89 MMP3 (0.52) CYP11B2GRIA1GRIA2GRIA3GRIA4
SCHEMBL29628971 0.84 RXRA (0.53) PTPN5KIF11RXRARXRBRXRG
SCHEMBL22507033 0.84 MMP3 (0.56) CYP11B2PTPN5KIF11MMP3MARK3
SCHEMBL87339 0.82 CYP2A6 (0.52) CYP11B2GRIA1GRIA2GRIA3GRIA4
SCHEMBL25712289 0.81 ERBB2 (0.46) GRIA1GRIA2GRIA3GRIA4KIF11
SCHEMBL24617563 0.81 HRH3 (0.50) CYP11B2GRIA1GRIA2GRIA3GRIA4
SCHEMBL10598462 0.81 RXRA (0.55) PTPN5RXRARXRBRXRG
SCHEMBL18411359 0.81 TSHR (0.56) CYP11B2PTPN5KIF11MMP3GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021135516-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed