SCHEMBL19823601

SCHEMBL19823601

Cc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3c(c4ccccc42)CCC=C3)cc1C#N

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ S1PR2 O95136 1/20 0.31
▸ S1PR4 O95977 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ SLC22A12 Q96S37 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL23369906 0.92 IMPDH2 (0.33) IMPDH2ALDH1A1MAPT
SCHEMBL21923484 0.91 IMPDH2 (0.34) IMPDH2ALDH1A1KDM4EHPGDNPSR1
SCHEMBL23369921 0.86 IMPDH2 (0.34) IMPDH2ALDH1A1KDM4EHPGDNPSR1
SCHEMBL24255213 0.83 CA1 (0.30) —
SCHEMBL25831721 0.83 KDM4E (0.30) ALDH1A1KDM4EHPGDMAPTCASP1
SCHEMBL19823599 0.83 IMPDH2 (0.45) IMPDH2ALDH1A1KDM4EHPGDS1PR2
SCHEMBL19681100 0.81 IMPDH2 (0.31) IMPDH2ALDH1A1MAPT
SCHEMBL24186609 0.81 HTR2A (0.30) —
SCHEMBL23188707 0.80 ALDH1A1 (0.38) ALDH1A1KDM4E
SCHEMBL27324825 0.80 HTR2A (0.30) —

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-3275969-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, LUMINESCENT MATERIAL, AND ORGANIC ELECTROLUMINESCENCE ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2018-01-31 — — EP disclosed
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