SCHEMBL12466562

SCHEMBL12466562

N#Cc1ncc(Cc2ccccc2)nc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
PIN1 Q13526 5/20 0.39
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
BCAT2 O15382 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TLR9 Q9NR96 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 2/20 0.35
PKM P14618 2/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL14813751 0.90 MAPT (0.39) MAPTPIN1HPGDKDM4EBCAT2
SCHEMBL12466650 0.80 TXNRD1 (0.40) MAPTPIN1HPGDKDM4EBCAT2
SCHEMBL12466747 0.72 MAPT (0.37) MAPTPIN1HPGDKDM4EBCAT2
SCHEMBL7119630 0.69 MEN1 (0.41) MAPTPIN1HPGDKDM4EL3MBTL1
SCHEMBL6747115 0.67 POLB (0.57) MAPTKDM4ELMNAL3MBTL1ATM
SCHEMBL27072915 0.65 CALM1 (0.55) LMNAL3MBTL1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL15559635 0.65 VCAM1 (0.36) MAPTHPGDKDM4ECYP2C9LMNA
SCHEMBL7116983 0.64 KMT2A (0.50) MAPTKDM4EATMNPC1RAB9A
SCHEMBL14431892 0.64 HPGD (0.45) MAPTHPGDKDM4ECYP2C9GAA
SCHEMBL4438379 0.64 CRHBP (0.49) MAPTPIN1HPGDKDM4ECYP2D6

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-2668184-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT Pierre Fabre Medicament (FR) 2013-12-04 EP disclosed
WO-2012101239-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT PIERRE FABRE MEDICAMENT (FR) 2012-08-02 WO disclosed