SCHEMBL7347754

SCHEMBL7347754

O=c1[nH]c2cc(C(F)(F)F)ccc2n2c(=O)[nH]nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.50
PDE9A O76083 2/20 0.50
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 2/20 0.46
NFKB1 P19838 2/20 0.46
MAPT P10636 2/20 0.46
HSP90AA1 P07900 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KCNMA1 Q12791 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL7413505 0.89 NPSR1 (0.44) PDE5APDE9ANPSR1MEN1KMT2A
SCHEMBL7351886 0.79 PDE5A (0.50) PDE5APDE9ANPSR1MEN1KMT2A
SCHEMBL8142801 0.77 CA12 (0.55) NPSR1MEN1KMT2ACYP1A2NFKB1
SCHEMBL7347889 0.76 PARP1 (0.39) NPSR1MEN1KMT2ARXFP1
SCHEMBL7353145 0.75 NPSR1 (0.72) NPSR1MEN1KMT2AMAPTRXFP1
SCHEMBL7353512 0.75 GRIA1 (0.50) NPSR1MEN1KMT2AMAPTCYP3A4
SCHEMBL10745368 0.75 CYP1A2 (0.40) NPSR1MEN1KMT2ACYP1A2NFKB1
SCHEMBL8557784 0.74 PDE5A (0.47) PDE5APDE9ANPSR1MEN1KMT2A
SCHEMBL7351758 0.74 MEN1 (0.36) NPSR1MEN1KMT2ARXFP1ALDH1A1
SCHEMBL8910786 0.73 DAO (0.49) NPSR1MEN1KMT2ARXFP1

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-0633885-A1 TRIAZOLOQUINOXALIN-1,4-DIONES AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1995-01-18 EP disclosed
WO-1993006103-A1 TRIAZOLOQUINOXALIN-1,4-DIONES AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-04-01 WO disclosed