SCHEMBL875026

SCHEMBL875026

Nc1cc(-c2ccc([N+](=O)[O-])cc2)sc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
RAB9A P51151 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
APP P05067 2/20 0.51
IKBKB O14920 5/20 0.51
CYP3A4 P08684 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
BTK Q06187 1/20 0.51
KDM4E B2RXH2 4/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
PTPN1 P18031 1/20 0.49
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
CHUK O15111 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL6610018 0.88 IKBKB (0.64) MAPTRAB9AMEN1KMT2AAPP
SCHEMBL877661 0.83 MAPT (0.58) MAPTRAB9AMEN1KMT2AAPP
SCHEMBL6229303 0.83 MAPT (0.67) MAPTRAB9AMEN1KMT2AAPP
SCHEMBL7055593 0.83 MAPT (0.52) MAPTRAB9AMEN1KMT2AAPP
SCHEMBL875389 0.81 IKBKB (0.60) MAPTRAB9AMEN1KMT2AAPP
SCHEMBL29906389 0.81 IKBKB (0.60) MAPTRAB9AMEN1KMT2AIKBKB
SCHEMBL2044907 0.79 IKBKB (0.77) MAPTRAB9AMEN1KMT2AIKBKB
SCHEMBL2313705 0.78 IKBKB (0.77) MAPTRAB9AMEN1KMT2AIKBKB
SCHEMBL15881509 0.78 MAPT (0.59) MAPTRAB9AMEN1KMT2AIKBKB
SCHEMBL3081896 0.78 MAPT (0.63) MAPTRAB9AMEN1KMT2AIKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012038904-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed
EP-0783501-B9 PYRIMIDONE DERIVATIVES WITH ANTIFUNGAL ACTIVITY URIACH & CIA SA J (ES) 2001-07-25 EP disclosed
EP-0783501-B1 PYRIMIDONE DERIVATIVES WITH ANTIFUNGAL ACTIVITY URIACH & CIA SA J (ES) 2001-01-10 EP disclosed
US-5807854-A THERAPY FOR FUNGI INFECTIONS IN PLANTS, ANIMALS J. URIAH & CIA. S.A. (ES) 1998-09-15 US disclosed
EP-0783501-A1 NEW PYRIMIDONE DERIVATIVES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-07-16 EP disclosed
WO-1997005130-A1 NEW PYRIMIDONE DERIVATIVES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-02-13 WO disclosed