SCHEMBL5094701

SCHEMBL5094701

NCCCCN1C(=O)c2cccc3cccc(c23)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 6/20 1.00
HEXB P07686 6/20 1.00
LCK P06239 1/20 0.69
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
POLB P06746 2/20 0.63
NR1I2 O75469 1/20 0.63
AHR P35869 1/20 0.63
RAD52 P43351 1/20 0.63
RCE1 Q9Y256 1/20 0.63
SIRT1 Q96EB6 3/20 0.61
OGA O60502 1/20 0.61
CYP3A4 P08684 1/20 0.60
NFKB1 P19838 1/20 0.60
HSD17B10 Q99714 1/20 0.60
ALDH1A1 P00352 3/20 0.59
HDAC3 O15379 1/20 0.59
LTA4H P09960 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59

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
SCHEMBL6601488 0.98 HEXA (0.97) HEXAHEXBLCKKMT2AMEN1
Naphthalimidopropylamine SCHEMBL12502105 0.95 HEXA (1.00) HEXAHEXBLCKKMT2AMEN1
SCHEMBL9626265 0.91 HEXA (0.83) HEXAHEXBKMT2AMEN1POLB
SCHEMBL9625535 0.90 HEXA (0.81) HEXAHEXBKMT2AMEN1POLB
SCHEMBL9625779 0.90 HEXA (0.81) HEXAHEXBKMT2AMEN1POLB
SCHEMBL9625395 0.90 HEXA (0.81) HEXAHEXBKMT2AMEN1POLB
SCHEMBL9625518 0.90 HEXA (0.81) HEXAHEXBKMT2AMEN1POLB
SCHEMBL626424 0.88 HEXA (1.00) HEXAHEXBLCKKMT2AMEN1
SCHEMBL25868576 0.86 SIRT1 (0.79) HEXAHEXBLCKKMT2AMEN1
Hydrochloric Acid SCHEMBL28259369 0.86 HEXA (0.96) HEXAHEXBLCKKMT2AMEN1

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 12 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
CN-103948595-B Acid imide position or 4-position substituted 1,8-naphthalimide derivative is as the purposes of PARP inhibitor 华侨大学 2017-01-04 CN disclosed
CN-103948595-A Use of imide site or 4-substituted 1, 8-naphthyl imide derivatives as PARP (poly adeno-sine diphosphate ribose polymerase) inhibitors UNIV HUAQIAO 2014-07-30 CN disclosed
US-7320993-B1 Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents ASTELLAS DEUTSCHLAND GMBH (DE) 2008-01-22 US disclosed
US-7192967-B1 Cyclic imide-substituted pyridylalkane, alkene, alkine carboxamides useful as cytostatic and immunosuppressive agents ASTELLAS PHARMA GMBH (DE) 2007-03-20 US disclosed
EP-1042291-B1 ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2005-07-13 EP disclosed
EP-1042315-B1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2004-04-14 EP disclosed
EP-1042315-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP disclosed
WO-1999031087-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO disclosed