SCHEMBL23328698

SCHEMBL23328698

N#Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(C#N)c5ccccc45)cc3)c3ccc4sc5ccccc5c4c3)cc2)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 10/20 0.39
GPR3 P46089 1/20 0.35
AR P10275 1/20 0.33
CYP1A2 P05177 1/20 0.33
IMPDH2 P12268 1/20 0.33
IMPDH1 P20839 1/20 0.33
DHODH Q02127 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL23328508 0.94 SLC22A12 (0.38) SLC22A12GPR3ARCYP1A2IMPDH2
SCHEMBL25544698 0.86 GPR3 (0.36) SLC22A12GPR3CYP1A2IMPDH2IMPDH1
SCHEMBL23867561 0.85 GPR3 (0.42) GPR3CYP1A2MAPTALDH1A1HPGD
SCHEMBL25548650 0.84 GPR3 (0.41) SLC22A12GPR3CYP1A2IMPDH2IMPDH1
SCHEMBL23328450 0.84 ALOX5 (0.46) SLC22A12GPR3ARIMPDH2IMPDH1
SCHEMBL25543481 0.84 GPR3 (0.36) SLC22A12GPR3CYP1A2IMPDH2IMPDH1
SCHEMBL23328502 0.83 GPR3 (0.38) SLC22A12GPR3ARCYP1A2IMPDH2
SCHEMBL25543493 0.83 IMPDH2 (0.41) SLC22A12ARCYP1A2IMPDH2IMPDH1
SCHEMBL23328482 0.82 GPR3 (0.37) SLC22A12GPR3CYP1A2IMPDH2IMPDH1
SCHEMBL25544533 0.82 GPR3 (0.37) SLC22A12GPR3CYP1A2IMPDH2IMPDH1

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