SCHEMBL3946790

SCHEMBL3946790

Cc1c2c3c(ccc4c5ccc6c7c(ccc(c(c1C)c34)c75)C(=O)NC6=O)C(=O)NC2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 8/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ RGS12 O14924 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ BRCA1 P38398 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ GNAI1 P63096 1/20 0.36
▸ HBB P68871 1/20 0.36
▸ PMP22 Q01453 1/20 0.36

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
SCHEMBL7598198 0.79 PARP1 (0.41) PARP1MEN1RGS12USP2CYP1A2
SCHEMBL7601076 0.78 PARP1 (0.50) PARP1MEN1RGS12USP2CYP1A2
SCHEMBL7598089 0.78 PARP1 (0.50) PARP1MEN1RGS12USP2CYP1A2
SCHEMBL29541 0.78 PARP1 (0.50) PARP1MEN1RGS12USP2CYP1A2
SCHEMBL30606639 0.78 PARP1 (0.50) PARP1MEN1RGS12USP2CYP1A2
SCHEMBL16855803 0.78 PARP1 (0.49) PARP1MEN1RGS12USP2CYP1A2
SCHEMBL2854316 0.77 PARP1 (0.36) PARP1MEN1RGS12USP2CYP1A2
SCHEMBL9314360 0.77 WEE1 (0.39) PARP1WEE1CHEK1CDK4CCND1
SCHEMBL3947648 0.74 WEE1 (0.43) PARP1MEN1RGS12USP2CYP1A2
SCHEMBL5266167 0.74 PARP1 (0.33) PARP1MEN1RGS12USP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017184790-A1 NANOPORE SENSOR, STRUCTURE AND DEVICE INCLUDING THE SENSOR, AND METHODS OF FORMING AND USING SAME TAKULAPALLI BHARATH (US) 2017-10-26 — — WO disclosed
EP-2052423-A1 THE USE OF PERYLENE DIIMIDE DERIVATIVES AS AIR-STABLE N-CHANNEL ORGANIC SEMICONDUCTORS BASF SE (DE) 2009-04-29 — — EP disclosed
WO-2008017714-A1 THE USE OF PERYLENE DIIMIDE DERIVATIVES AS AIR-STABLE N-CHANNEL ORGANIC SEMICONDUCTORS BASF SE (DE) 2008-02-14 — — WO disclosed
EP-1332184-A2 POLYPHOSPHORIC ACID SWELLING OF ORGANIC PIGMENTS Ciba SC Holding AG (CH) 2003-08-06 — — EP disclosed
US-6537362-B1 Polyphosphoric acid swelling of organic pigments SUN CHEMICAL CORPORATION 2003-03-25 — — US disclosed
WO-2002038681-A2 POLYPHOSPHORIC ACID SWELLING OF ORGANIC PIGMENTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-05-16 — — WO disclosed
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