SCHEMBL19848946

SCHEMBL19848946

CN1C(=O)c2cccc(-n3c4ccccc4c4ccc(C#N)cc43)c2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.43
▸ BRD4 O60885 3/20 0.39
▸ TDP2 O95551 1/20 0.39
▸ CREBBP Q92793 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
▸ FLT3 P36888 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TTR P02766 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ MEN1 O00255 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
SCHEMBL19852647 0.95 CASP3 (0.47) CASP3BRD4TDP2CREBBPTDP1
SCHEMBL19848949 0.93 CASP3 (0.43) CASP3BRD4TDP2TDP1GABRA1
SCHEMBL23515911 0.91 CHEK1 (0.39) CASP3BRD4FLT3LMNATP53
SCHEMBL23515906 0.91 CHEK1 (0.39) CASP3BRD4FLT3
SCHEMBL19848968 0.89 CASP3 (0.37) CASP3BRD4TDP2CREBBPFLT3
SCHEMBL23515897 0.88 PGR (0.39) CASP3BRD4FLT3LMNATP53
SCHEMBL19848947 0.88 CASP3 (0.47) CASP3BRD4TDP2CREBBPTDP1
SCHEMBL23516312 0.87 BRD4 (0.38) CASP3BRD4FLT3LMNATP53
SCHEMBL23515926 0.86 CHEK1 (0.41) CASP3BRD4TDP2FLT3LMNA
SCHEMBL23515905 0.86 CHEK1 (0.39) CASP3BRD4MEN1USP2KMT2A

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 3 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
EP-3279193-A1 COMPOUNDS COMPRISING PHTHALIMIDE AND CARBAZOLE OR ITS ANALOGUES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-07 — — EP disclosed
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