SCHEMBL19852647

SCHEMBL19852647

CN1C(=O)c2cccc(-n3c4cc(C#N)ccc4c4ccc(C#N)cc43)c2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.47
▸ TDP2 O95551 1/20 0.41
▸ BRD4 O60885 5/20 0.40
▸ CREBBP Q92793 2/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ BRCA1 P38398 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL19848946 0.95 CASP3 (0.43) CASP3TDP2BRD4CREBBPMEN1
SCHEMBL23515926 0.91 CHEK1 (0.41) CASP3TDP2BRD4MEN1USP2
SCHEMBL19848947 0.90 CASP3 (0.47) CASP3TDP2BRD4CREBBPMEN1
SCHEMBL23515910 0.90 BRD4 (0.42) CASP3BRD4FLT3
SCHEMBL19848949 0.88 CASP3 (0.43) CASP3TDP2BRD4MEN1USP2
SCHEMBL23516253 0.88 CASP3 (0.39) CASP3TDP2BRD4CREBBPFLT3
SCHEMBL23515898 0.87 PGR (0.39) CASP3BRD4MEN1USP2CASP1
SCHEMBL23515911 0.87 CHEK1 (0.39) CASP3BRD4MAPTLMNATP53
SCHEMBL23515906 0.86 CHEK1 (0.39) CASP3BRD4FLT3
SCHEMBL19848968 0.85 CASP3 (0.37) CASP3TDP2BRD4CREBBPFLT3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3279193-B1 COMPOUNDS COMPRISING A PHTHALIMIDE GROUP AND CARBAZOLE OR ITS ANALOGUES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-05-08 — — EP disclosed
WO-2018024723-A1 PHTHALIMIDE AND CARBAZOLE OR ANALOGS THEREOF CONTAINING COMPOUNDS FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-08 — — WO disclosed
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