SCHEMBL28286146

SCHEMBL28286146

NCCCCc1ccc2cccc3c2c1C(=O)NC3=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.50
HEXA P06865 3/20 0.43
HEXB P07686 3/20 0.43
NPSR1 Q6W5P4 2/20 0.38
CDK2 P24941 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 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

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
SCHEMBL28287598 0.96 PARP1 (0.51) PARP1HEXAHEXBNPSR1CDK2
SCHEMBL11204216 0.93 PARP1 (0.58) PARP1NPSR1CDK2MEN1KMT2A
SCHEMBL11210705 0.92 PARP1 (0.56) PARP1NPSR1CDK2MEN1KMT2A
SCHEMBL28257840 0.90 PARP1 (0.54) PARP1HEXAHEXBNPSR1CDK2
Hydrochloric Acid SCHEMBL28259370 0.89 PARP1 (0.53) PARP1HEXAHEXBNPSR1CDK2
SCHEMBL15557200 0.88 PARP1 (0.51) PARP1NPSR1CDK2MEN1KMT2A
SCHEMBL8880740 0.86 PARP1 (0.50) PARP1HEXAHEXBNPSR1CDK2
SCHEMBL19436979 0.86 PARP1 (0.50) PARP1NPSR1MEN1KMT2ATDP1
SCHEMBL21616783 0.86 PARP1 (0.50) PARP1NPSR1CDK2MEN1KMT2A
SCHEMBL29030849 0.85 PARP1 (0.49) PARP1NPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109554004-B Pigment dispersants and their use 江苏丽王科技股份有限公司 2024-02-20 CN claimed
CN-109554004-A Pigment dispersing agent and application thereof 江苏丽王科技股份有限公司 2019-04-02 CN claimed
CN-109554004-B Pigment dispersants and their use 江苏丽王科技股份有限公司 2024-02-20 CN disclosed
CN-109554004-A Pigment dispersing agent and application thereof 江苏丽王科技股份有限公司 2019-04-02 CN disclosed