SCHEMBL9539830

SCHEMBL9539830

CN1C(=O)Nc2ccc([N+](=O)[O-])cc2C1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 2/20 0.47
USP7 Q93009 1/20 0.44
MMP2 P08253 1/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
AKR1B1 P15121 1/20 0.43
PGR P06401 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL8566625 0.80 TSHR (0.44) MEN1KMT2AHTTMAPTALDH1A1
SCHEMBL16109306 0.79 GAA (0.60) BRD4MEN1KMT2AMAPTALDH1A1
SCHEMBL11665099 0.79 MEN1 (0.60) BRD4MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11762704 0.77 ATM (0.70) MEN1KMT2AHTTMAPT
SCHEMBL11747743 0.76 MEN1 (0.54) MEN1KMT2AHTTUSP7MAPT
SCHEMBL11761878 0.76 MEN1 (0.54) MEN1KMT2AHTTUSP7MAPT
SCHEMBL11154462 0.75 MEN1 (0.65) MEN1KMT2AHTTMAPT
SCHEMBL11152349 0.75 MEN1 (0.64) MEN1KMT2AHTTMAPT
SCHEMBL16109596 0.74 BRD4 (0.52) BRD4MEN1KMT2AGAA
SCHEMBL11765367 0.74 MEN1 (0.63) MEN1KMT2AHTTMAPT

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-0530994-A1 Quinazoline derivatives as inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1993-03-10 EP disclosed
WO-1993004047-A1 QUINAZOLINE DERIVATIVES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO., INC. (US) 1993-03-04 WO disclosed