SCHEMBL23328501

SCHEMBL23328501

N#Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(C#N)cc4)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.39
PRSS12 P56730 1/20 0.39
TNKS O95271 1/20 0.35
APP P05067 1/20 0.35
PTGIR P43119 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
MMP3 P08254 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34

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
SCHEMBL25544249 1.00 GPR3 (0.39) GPR3PRSS12TNKSAPPPTGIR
SCHEMBL25544250 1.00 GPR3 (0.39) GPR3PRSS12TNKSAPPPTGIR
SCHEMBL25543723 0.97 PRSS12 (0.40) GPR3PRSS12TNKSAPPPTGIR
SCHEMBL23328510 0.96 GPR3 (0.42) GPR3PRSS12PTGIRABCG2ALDH1A1
SCHEMBL25543317 0.96 GPR3 (0.42) GPR3PRSS12PTGIRABCG2ALDH1A1
SCHEMBL25544519 0.95 PRSS12 (0.36) GPR3PRSS12TNKSAPPPTGIR
SCHEMBL23328465 0.94 PRSS12 (0.41) GPR3PRSS12TNKSAPPPTGIR
SCHEMBL23328483 0.94 PRSS12 (0.41) GPR3PRSS12TNKSAPPPTGIR
SCHEMBL25548015 0.94 PRSS12 (0.41) GPR3PRSS12TNKSAPPPTGIR
SCHEMBL25544160 0.94 PRSS12 (0.41) GPR3PRSS12TNKSAPPPTGIR

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