SCHEMBL2707128

SCHEMBL2707128

O=c1[nH]c2nc3ccccc3n2c2[nH]cnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.50
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
HPGD P15428 4/20 0.48
RAB9A P51151 4/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 2/20 0.46
NPC1 O15118 2/20 0.46
GAA P10253 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
MAPK10 P53779 1/20 0.43
ADORA1 P30542 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ADORA2A P29274 3/20 0.40
ADORA2B P29275 1/20 0.40
PDPK1 O15530 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
SCHEMBL2707132 0.78 RPA1 (0.50) RPA1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL30935867 0.73 RPA1 (0.57) RPA1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL15180301 0.73 RPA1 (0.57) RPA1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL20929343 0.69 KDM4E (0.57) RPA1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL11697748 0.68 KDM4E (0.56) RPA1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL5756993 0.68 RPA1 (0.48) RPA1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL31347842 0.66 GAA (0.36) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL22045245 0.66 KDM4E (0.50) RPA1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL13425234 0.66 KDM4E (0.53) RPA1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL22045665 0.66 KDM4E (0.50) RPA1KDM4EALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081431-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2009-07-29 EP claimed
WO-2008063505-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2008-05-29 WO claimed
EP-0538332-A1 POLYCYCLIC GUANINE DERIVATIVES. SCHERING CORP (US) 1993-04-28 EP claimed
EP-2434895-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2012-04-04 EP disclosed
WO-2010132127-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-11-18 WO disclosed
WO-2010098839-A1 PDE 1 INHIBITORS FOR OPHTHALMIC DISORDERS INTRA-CELLULAR THERAPIES, INC. (US) 2010-09-02 WO disclosed
EP-2089034-A1 NOVEL USES Intra-Cellular Therapies, Inc. (US) 2009-08-19 EP disclosed
WO-2008070095-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2008-06-12 WO disclosed
WO-1999059584-A1 COMBINATION OF PHENTOLAMINE AND CYCLIC GMP PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION SCHERING CORPORATION (US) 1999-11-25 WO disclosed