SCHEMBL8310013

SCHEMBL8310013

O=C(Nc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.80
SMN1; SMN2 Q16637 6/20 0.80
KMT2A Q03164 4/20 0.80
MEN1 O00255 3/20 0.80
TP53 P04637 2/20 0.80
CYP3A4 P08684 2/20 0.80
MAPK1 P28482 2/20 0.80
PPARG P37231 2/20 0.80
LMNA P02545 1/20 0.80
CYP1A2 P05177 1/20 0.80
CYP2D6 P10635 1/20 0.80
CYP2C9 P11712 1/20 0.80
PKM P14618 1/20 0.80
TSHR P16473 1/20 0.80
NFKB1 P19838 1/20 0.80
CYP2C19 P33261 1/20 0.80
THPO P40225 1/20 0.80
MTOR P42345 1/20 0.80
RORC P51449 1/20 0.80
PMP22 Q01453 1/20 0.80

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
SCHEMBL28044831 0.91 MAPT (0.84) MAPTSMN1; SMN2KMT2AMEN1TP53
SCHEMBL29369092 0.89 RORC (1.00) MAPTSMN1; SMN2KMT2AMEN1TP53
SCHEMBL420231 0.89 RORC (1.00) MAPTSMN1; SMN2KMT2AMEN1TP53
SCHEMBL12443223 0.86 MAPT (0.71) MAPTSMN1; SMN2KMT2AMEN1TP53
SCHEMBL12443211 0.84 MAPT (0.74) MAPTSMN1; SMN2KMT2AMEN1TP53
SCHEMBL3340347 0.84 KMT2A (0.69) MAPTSMN1; SMN2KMT2AMEN1TP53
SCHEMBL10836873 0.84 KMT2A (0.72) MAPTSMN1; SMN2KMT2AMEN1TP53
SCHEMBL6565993 0.84 KMT2A (0.68) MAPTSMN1; SMN2KMT2AMEN1TP53
SCHEMBL28489220 0.83 KMT2A (0.67) MAPTSMN1; SMN2KMT2AMEN1TP53
SCHEMBL9423772 0.83 MAPT (0.75) MAPTSMN1; SMN2KMT2AMEN1MAPK1

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
CN-104428289-B As the triazole compounds of antivirotic 弗·哈夫曼-拉罗切有限公司 2017-06-23 CN disclosed
CN-104428289-A Triazole compounds as antivirals HOFFMANN LA ROCHE 2015-03-18 CN disclosed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 WO disclosed