SCHEMBL7814934

SCHEMBL7814934

O=C(O)c1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
MAPT P10636 4/20 0.62
LMNA P02545 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
PKM P14618 1/20 0.62
TSHR P16473 1/20 0.62
NFKB1 P19838 1/20 0.62
MAPK1 P28482 1/20 0.62
CYP2C19 P33261 1/20 0.62
PPARG P37231 1/20 0.62
THPO P40225 1/20 0.62
MTOR P42345 1/20 0.62
PMP22 Q01453 1/20 0.62

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
SCHEMBL22007921 0.90 MEN1 (0.64) RORCMEN1KMT2AMAPTLMNA
SCHEMBL15668418 0.89 RORC (0.68) RORCMEN1KMT2AMAPTLMNA
SCHEMBL403214 0.86 RORC (0.73) RORCMEN1KMT2AMAPTLMNA
SCHEMBL402139 0.85 MAPT (0.77) RORCMEN1KMT2AMAPTLMNA
SCHEMBL7130662 0.85 RORC (0.73) RORCMEN1KMT2AMAPTLMNA
SCHEMBL8042285 0.83 MAPT (0.62) RORCMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL16489011 0.83 MYC (0.60) RORCMEN1KMT2AMAPTLMNA
SCHEMBL8060482 0.82 RORC (0.66) RORCMEN1KMT2AMAPTLMNA
SCHEMBL18146442 0.81 RORC (0.81) RORCMEN1KMT2AMAPTLMNA
SCHEMBL19148563 0.81 RORC (0.67) RORCMEN1KMT2AMAPTLMNA

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed