SCHEMBL8975796

SCHEMBL8975796

Cn1c2ccc([Sn](C)(C)C)cc2c2ccc(C#N)nc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
CDC7 O00311 1/20 0.32
CTSB P07858 1/20 0.32
PIM1 P11309 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NR1I2 O75469 1/20 0.31
AHR P35869 1/20 0.31
HCRTR1 O43613 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
NQO1 P15559 1/20 0.30

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
SCHEMBL8975820 0.81 CYP1A2 (0.38) DDB1CRBNCDC7CTSBMEN1
SCHEMBL8975764 0.71 FEN1 (0.40) MEN1KMT2ANR1I2AHRHCRTR1
SCHEMBL27154384 0.68 CDC7 (0.33) DDB1CRBNCDC7CTSBPIM1
SCHEMBL29643693 0.68 CDC7 (0.33) DDB1CRBNCDC7CTSBPIM1
SCHEMBL29311431 0.67 PDE3B (0.44) CDC7KDM4E
SCHEMBL8975983 0.65 MAOA (0.43) MEN1KMT2AKDM4EMAPT
SCHEMBL8976111 0.64 ADORA3 (0.43) MEN1KMT2AKDM4EMAPT
SCHEMBL9301241 0.64 USP8 (0.41) NQO1
SCHEMBL20116584 0.62 ADORA2A (0.37) DDB1CRBNCDC7CTSBKDM4E
SCHEMBL19231460 0.62 CDC7 (0.44) DDB1CRBNCDC7PIM1NQO1

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
US-5532261-A TREATING STAPHYLOCOCCUS INFECTIONS MERCK & CO., INC. (US) 1996-07-02 US disclosed