SCHEMBL7782817

SCHEMBL7782817

c1ccc(CNc2nc(Cc3ncc[nH]3)nc3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.53
ACHE P22303 3/20 0.53
KMT2A Q03164 3/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
UBE2N P61088 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RCE1 Q9Y256 1/20 0.52
BCHE P06276 2/20 0.52
TAAR1 Q96RJ0 1/20 0.51
PDE5A O76074 6/20 0.51
APP P05067 3/20 0.51
MEN1 O00255 2/20 0.51
NPC1 O15118 1/20 0.51
GBA1 P04062 1/20 0.50
ATM Q13315 1/20 0.50
PTGS1 P23219 2/20 0.49

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
SCHEMBL5595129 0.87 PDE5A (0.52) KDM4EALDH1A1PKMTAAR1PDE5A
Hydrochloric Acid SCHEMBL7278529 0.86 PDE5A (0.53) KDM4EALDH1A1PKMTAAR1PDE5A
SCHEMBL4859938 0.81 RAD52 (0.69) RAD52ACHEKMT2ALMNAKDM4E
SCHEMBL3976866 0.74 APP (0.68) RAD52ACHEKMT2ALMNAKDM4E
SCHEMBL4864671 0.72 APP (0.70) RAD52ACHEKMT2ALMNAKDM4E
SCHEMBL12175837 0.71 RAD52 (1.00) RAD52ACHEKMT2ALMNAKDM4E
SCHEMBL7431532 0.71 KMT2A (0.77) RAD52KMT2ALMNAKDM4EALDH1A1
SCHEMBL9243 0.70 TAAR1 (1.00) KMT2ALMNAKDM4EALDH1A1MAPT
SCHEMBL7435745 0.70 CYP1A2 (0.64) RAD52ACHEKMT2ALMNAKDM4E
SCHEMBL4861406 0.70 APP (0.71) RAD52ACHEKMT2ALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140044-A2 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION Novartis AG (CH) 2001-10-10 EP disclosed
WO-2000037061-A2 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION NOVARTIS AG (CH) 2000-06-29 WO disclosed