SCHEMBL3529901

SCHEMBL3529901

O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
MAPT P10636 1/20 0.64
AR P10275 4/20 0.63
CYP3A4 P08684 2/20 0.63
CES2 O00748 1/20 0.63
ABCB11 O95342 1/20 0.63
ALDH1A1 P00352 1/20 0.63
CYP1A2 P05177 1/20 0.63
GLA P06280 1/20 0.63
ADORA3 P0DMS8 1/20 0.63
CHRM1 P11229 1/20 0.63
CYP2C9 P11712 1/20 0.63
ALOX15 P16050 1/20 0.63
TSHR P16473 1/20 0.63
TBXA2R P21731 1/20 0.63
AADAC P22760 1/20 0.63
MAPK1 P28482 1/20 0.63
CYP2C19 P33261 1/20 0.63

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
SCHEMBL3644541 0.87 MEN1 (0.60) LMNAMEN1KMT2AMAPTAR
SCHEMBL18549031 0.85 AR (0.58) LMNAMEN1KMT2AMAPTAR
SCHEMBL4959126 0.85 AR (0.71) LMNAARCYP3A4CES2ABCB11
SCHEMBL4959122 0.85 AR (0.71) LMNAARCYP3A4CES2ABCB11
SCHEMBL3246949 0.84 AR (0.59) LMNAMEN1KMT2AMAPTAR
SCHEMBL30554610 0.84 AR (0.59) LMNAMEN1KMT2AMAPTAR
SCHEMBL6819245 0.84 MAPT (0.61) LMNAMEN1KMT2AMAPTAR
SCHEMBL21282650 0.84 KCNMA1 (0.61) LMNAMEN1KMT2AMAPTAR
SCHEMBL1663896 0.83 MEN1 (0.65) LMNAMEN1KMT2AMAPTMAPK1
SCHEMBL23424664 0.82 RAB9A (0.66) LMNAMEN1KMT2AMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1155278-A Arylthio compounds as antibacteral and antiviral agents WARNER LAMBERT CO (US) 1997-07-23 CN claimed
US-7709479-B1 Quinazoline derivatives and their use as pharmaceuticals ASTRAZENECA (SE) 2010-05-04 US disclosed
EP-1218354-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021596-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2001-03-29 WO disclosed
CN-1155278-A Arylthio compounds as antibacteral and antiviral agents WARNER LAMBERT CO (US) 1997-07-23 CN disclosed