SCHEMBL29508375

SCHEMBL29508375

C[C@@H](n1cnc2cnc3ccccc3c21)C(C)(C)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.41
TSHR P16473 1/20 0.39
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LRRK2 Q5S007 1/20 0.35
POLB P06746 2/20 0.35
ATM Q13315 3/20 0.34
KDM4E B2RXH2 2/20 0.33
GPR3 P46089 1/20 0.33
TLR7 Q9NYK1 2/20 0.33
LMNA P02545 1/20 0.33
HRH2 P25021 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR2A P28223 1/20 0.33
ADORA2A P29274 1/20 0.33
ADRA1A P35348 1/20 0.33
NUDT1 P36639 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL29508396 0.89 USP5 (0.43) USP5TSHRKMT2AMEN1HPGD
SCHEMBL22749324 0.86 USP5 (0.44) USP5TSHRKMT2AMEN1HPGD
SCHEMBL29508401 0.86 USP5 (0.44) USP5TSHRKMT2AMEN1HPGD
SCHEMBL22749237 0.80 USP5 (0.41) USP5TSHRKMT2AMEN1HPGD
SCHEMBL29508378 0.80 USP5 (0.41) USP5TSHRKMT2AMEN1HPGD
SCHEMBL23925018 0.77 USP5 (0.41) USP5TSHRKMT2AMEN1HPGD
SCHEMBL21995438 0.77 USP5 (0.41) USP5TSHRKMT2AMEN1HPGD
SCHEMBL10588992 0.77 MEN1 (0.59) USP5TSHRKMT2AMEN1HPGD
SCHEMBL23924462 0.76 USP5 (0.35) USP5TSHRKMT2AMEN1HPGD
SCHEMBL23924463 0.76 USP5 (0.35) USP5TSHRKMT2AMEN1HPGD

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
EP-3980415-A1 N-1 BRANCHED ALKYL SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS, COMPOSITIONS, AND METHODS 3M Innovative Properties Company (US) 2022-04-13 EP disclosed