SCHEMBL16581295

SCHEMBL16581295

Nc1c(C(=O)c2ccc3ccccc3c2)sc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.66
▸ GABRA5 P31644 1/20 0.66
▸ IKBKB O14920 1/20 0.56
▸ LIMK1 P53667 1/20 0.56
▸ UCHL1 P09936 1/20 0.56
▸ MAPT P10636 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ GLA P06280 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ MAOB P27338 4/20 0.47
▸ CCNA2 P20248 2/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ MAOA P21397 1/20 0.46

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
SCHEMBL16581218 0.82 GABRA1 (0.77) GABRA1GABRA5IKBKBLIMK1UCHL1
SCHEMBL16581289 0.79 GABRA1 (0.74) GABRA1GABRA5IKBKBLIMK1UCHL1
SCHEMBL6609258 0.73 LIMK1 (1.00) GABRA1GABRA5IKBKBLIMK1MAPT
SCHEMBL1919937 0.73 LIMK1 (0.73) GABRA1GABRA5IKBKBLIMK1MAPT
SCHEMBL30250451 0.72 CES2 (0.74) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL941698 0.72 CES2 (0.74) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL29613672 0.72 CES2 (0.74) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL15766514 0.72 LIMK1 (0.71) GABRA1GABRA5IKBKBLIMK1MAPT
SCHEMBL4605223 0.71 SENP5 (0.50) GABRA1GABRA5MAPTALDH1A1KMT2A
SCHEMBL28260363 0.71 DYRK1A (0.69) ALDH1A1MEN1KMT2AHPGDCES2

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-2015037675-A1 BENZOTHIENOPYRIMIDINE COMPOUND, METHOD FOR PRODUCING SAME AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING SAME 東ソー株式会社 (JP) 2015-03-19 — — WO disclosed
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