SCHEMBL7573778

SCHEMBL7573778

Nc1ccc(-c2cccc([N+](=O)[O-])c2)cc1CCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 1/20 0.50
▸ LMNA P02545 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ GAA P10253 2/20 0.45
▸ MGAM O43451 1/20 0.45
▸ SI P14410 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ MGAM2 Q2M2H8 1/20 0.45
▸ MAPT P10636 5/20 0.44
▸ TSHR P16473 2/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PRSS1 P07477 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PGR P06401 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL6649337 0.84 ALDH1A1 (0.50) HDAC2LMNAALDH1A1GAAMGAM
SCHEMBL8373001 0.83 TSHR (0.55) ALDH1A1GAAPKMMAPTTSHR
SCHEMBL2770653 0.79 CYP3A4 (0.44) LMNAALDH1A1GAAMAPTTSHR
SCHEMBL6541802 0.77 ALOX15 (0.57) HDAC2LMNAALDH1A1GAAMGAM
SCHEMBL7496853 0.76 PGR (0.55) ALDH1A1PGR
SCHEMBL7493059 0.76 TAAR1 (0.51) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6738366 0.76 TSHR (0.76) LMNAALDH1A1GAAMGAMSI
SCHEMBL7001023 0.75 GAA (0.56) ALDH1A1GAAMAPTTSHRMEN1
SCHEMBL7142305 0.75 ALDH1A1 (0.63) HDAC2LMNAALDH1A1GAAMGAM
SCHEMBL30360587 0.75 ALDH1A1 (0.63) HDAC2LMNAALDH1A1GAAMGAM

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-1175404-A1 QUINAZOLINONE AND BENZOXAZINE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS American Home Products Corporation (US) 2002-01-30 — — EP disclosed
WO-2000066560-A1 QUINAZOLINONE AND BENZOXAZINE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 — — WO disclosed
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