SCHEMBL1068670

SCHEMBL1068670

NC(=O)N1CC=Nc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
SCN4A P35499 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
AMPD2 Q01433 8/20 0.35
HSD17B3 P37058 1/20 0.35
NPC1 O15118 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
PABPC1 P11940 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL2904169 0.84 ALDH1A1 (0.33) LMNATSHRHSD17B3NPC1MEN1
SCHEMBL29580295 0.81 TSHR (0.40) LMNATSHRMAPK1NPC1MEN1
SCHEMBL1486954 0.76 SMN1; SMN2 (0.51) LMNATSHRMAPK1BCHENPC1
SCHEMBL29581392 0.75 TSHR (0.36) TSHRHSD17B3
SCHEMBL27928991 0.75 BCHE (0.44) MAPK1SCN5ASCN9ABCHE
SCHEMBL16342947 0.75 P2RX4 (0.44) TSHRSCN9ABCHENPC1MEN1
SCHEMBL1486985 0.73 P2RX4 (0.48) BCHEKDM4EMEN1MAPTKMT2A
SCHEMBL29581106 0.72 POLB (0.32) TSHRBCHE
SCHEMBL7972421 0.72
SCHEMBL1598181 0.72 NSD2 (0.31) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO claimed
WO-2023239227-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 주식회사 사피엔스바이오 2023-12-14 WO disclosed
EP-2268285-A1 THERAPEUTIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2011-01-05 EP disclosed
WO-2009108507-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2009-09-03 WO disclosed
WO-2006068928-A1 PYRROLO[1,2-A]QUINOXALIN-5-(4H)-YL)SULFONYLS AND CARBONYLS AND THEIR USE AS ESTROGENIC AGENTS WYETH (US) 2006-06-29 WO disclosed
EP-1507778-A4 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES UNIV TROBE (AU) 2006-05-31 EP disclosed
EP-1507778-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES LA TROBE UNIVERSITY (AU) 2005-02-23 EP disclosed
EP-1202734-A4 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2004-09-01 EP disclosed
WO-2003097642-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES LA TROBE UNIVERSITY (AU) 2003-11-27 WO disclosed
EP-1202734-A1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-08 EP disclosed
WO-2001012188-A1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2001-02-22 WO disclosed
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO disclosed
WO-1998045272-A1 TOPOISOMERASE INHIBITORS LATROBE UNIVERSITY (AU) 1998-10-15 WO disclosed