SCHEMBL23328429

SCHEMBL23328429

N#Cc1cc(C#N)cc(-c2ccc(N(c3ccc(-c4cc(C#N)cc(C#N)c4)cc3)c3ccc4sc5ccccc5c4c3)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.37
PTGIR P43119 1/20 0.34
PRSS12 P56730 1/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APP P05067 1/20 0.32
CYP1A2 P05177 1/20 0.32
DHODH Q02127 1/20 0.31
PTPN7 P35236 1/20 0.30
DUSP3 P51452 1/20 0.30
PTPN12 Q05209 1/20 0.30
PTPN22 Q9Y2R2 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL25544516 1.00 GPR3 (0.37) GPR3PTGIRPRSS12MAPTALDH1A1
SCHEMBL25544519 0.97 PRSS12 (0.36) GPR3PTGIRPRSS12MAPTALDH1A1
SCHEMBL25544364 0.95 GPR3 (0.37) GPR3PTGIRPRSS12MAPTALDH1A1
SCHEMBL23328481 0.95 GPR3 (0.37) GPR3PTGIRPRSS12MAPTALDH1A1
SCHEMBL25544249 0.92 GPR3 (0.39) GPR3PTGIRPRSS12MAPTALDH1A1
SCHEMBL23328501 0.92 GPR3 (0.39) GPR3PTGIRPRSS12MAPTALDH1A1
SCHEMBL25544250 0.92 GPR3 (0.39) GPR3PTGIRPRSS12MAPTALDH1A1
SCHEMBL25543723 0.90 PRSS12 (0.40) GPR3PTGIRPRSS12APPCYP1A2
SCHEMBL25543401 0.90 GPR3 (0.37) GPR3PTGIRPRSS12MAPTALDH1A1
SCHEMBL23328510 0.88 GPR3 (0.42) GPR3PTGIRPRSS12MAPTALDH1A1

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-2021085817-A2 TERTIARY AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 랩토 2021-05-06 WO disclosed