SCHEMBL9512381

SCHEMBL9512381

O=C1NC(=O)c2ccc3c4c(Cl)c(Cl)c5c6c(c(Cl)c(Cl)c(c7ccc1c2c73)c64)C(=O)NC5=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.42
PARP1 P09874 5/20 0.37
MEN1 O00255 1/20 0.37
RGS12 O14924 1/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
CYP2C9 P11712 1/20 0.37
APEX1 P27695 1/20 0.37
CASP1 P29466 1/20 0.37
BRCA1 P38398 1/20 0.37
MTOR P42345 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
CASP7 P55210 1/20 0.37
GNAI1 P63096 1/20 0.37
HBB P68871 1/20 0.37

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
SCHEMBL30606639 0.75 PARP1 (0.50) PPOXPARP1MEN1RGS12USP2
SCHEMBL29541 0.75 PARP1 (0.50) PPOXPARP1MEN1RGS12USP2
SCHEMBL7598089 0.75 PARP1 (0.50) PPOXPARP1MEN1RGS12USP2
SCHEMBL12748842 0.75 PPOX (0.33) PPOXCES1
SCHEMBL7601076 0.75 PARP1 (0.50) PPOXPARP1MEN1RGS12USP2
SCHEMBL3084675 0.73 TYMS (0.45) MEN1CYP1A2POLBMAPTCYP2C9
SCHEMBL13578741 0.73 PPOX (0.37) PPOXMEN1MAPTKMT2ACCNE2
SCHEMBL278438 0.71 PARP1 (0.59) PPOXPARP1MEN1RGS12USP2
SCHEMBL29716114 0.71 PARP1 (0.59) PPOXPARP1MEN1RGS12USP2
SCHEMBL17225997 0.69 PARP1 (0.40) PPOXPARP1MEN1RGS12USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260648-B1 Tetrachloroperylene-3,4,9-10-tetracarboxylic acid diimide pigment and its use BASF AG (DE) 1993-12-01 EP claimed
US-4846892-A Tetrachloroperylene-3,4,9,10-tetracarboxylic acid diimide pigment and its use BASF AKTIENGESELLSCHAFT (DE) 1989-07-11 US claimed
EP-0260648-B1 Tetrachloroperylene-3,4,9-10-tetracarboxylic acid diimide pigment and its use BASF AG (DE) 1993-12-01 EP disclosed
US-4846892-A Tetrachloroperylene-3,4,9,10-tetracarboxylic acid diimide pigment and its use BASF AKTIENGESELLSCHAFT (DE) 1989-07-11 US disclosed
US-4846892-A Tetrachloroperylene-3,4,9,10-tetracarboxylic acid diimide pigment and its use BASF AKTIENGESELLSCHAFT (DE) 1989-07-11 US disclosed
US-4846892-A Tetrachloroperylene-3,4,9,10-tetracarboxylic acid diimide pigment and its use BASF AKTIENGESELLSCHAFT (DE) 1989-07-11 US disclosed
EP-0260648-A2 Tetrachloroperylene-3,4,9-10-tetracarboxylic acid diimide pigment and its use BASF Aktiengesellschaft (DE) 1988-03-23 EP disclosed