SCHEMBL5989837

SCHEMBL5989837

Cc1cc(I)ccc1Nc1c(C(=O)O)cc([N+](=O)[O-])c2nccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.47
KMT2A Q03164 7/20 0.45
MEN1 O00255 6/20 0.45
CYP1A2 P05177 4/20 0.45
CYP2C19 P33261 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 3/20 0.44
MAPT P10636 6/20 0.42
CYP3A4 P08684 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ASPH Q12797 1/20 0.41
KDM8 Q8N371 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MYC P01106 2/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
MAP2K1 Q02750 2/20 0.37
MAP2K2 P36507 1/20 0.37
POLB P06746 1/20 0.36
AKR1C3 P42330 1/20 0.36

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
SCHEMBL5991530 0.90 KMT2A (0.44) IDO1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL27577985 0.89 IDO1 (0.39) IDO1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL5989816 0.84 IDO1 (0.45) IDO1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL5989793 0.84 IDO1 (0.46) IDO1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL5989703 0.82 IDO1 (0.50) IDO1KMT2AMEN1TDP1MAPT
Hydroxyamine SCHEMBL6139363 0.82 IDO1 (0.44) IDO1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL14590721 0.81 MAP2K1 (0.49) IDO1KMT2AMEN1TDP1MAP2K1
SCHEMBL5989631 0.81 MEN1 (0.61) KMT2AMEN1CYP1A2CYP2C19TDP1
SCHEMBL14590725 0.81 MAP2K1 (0.48) IDO1KMT2AMEN1TDP1MAP2K1
SCHEMBL14590718 0.79 MAP2K1 (0.46) IDO1KMT2AMEN1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030119-B1 Method for treating chronic pain using MEK inhibitors WARNER-LAMBERT COMPANY (US) 2006-04-18 US disclosed
EP-1144385-B1 BENZOHETEROCYCLES AND THEIR USE AS MEK INHIBITORS WARNER LAMBERT CO (US) 2005-08-17 EP disclosed
CN-1177830-C Benzoheterocycles and their use as MEK inhibitors ��ʲ 2004-12-01 CN disclosed
US-6469004-B1 Benzoheterocycles and their uses as MEK inhibitors WARNER-LAMBERT COMPANY 2002-10-22 US disclosed
CN-1358094-A Methods of treating chronic pain with MEK inhibitors WARNER LAMBERT CO (US) 2002-07-10 CN disclosed
EP-1202731-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 EP disclosed
CN-1333754-A Benzoheterocycles and their use as MEK inhibitors WARNER LAMBERT CO (US) 2002-01-30 CN disclosed
EP-1144385-A1 BENZOHETEROCYCLES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2001005390-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2000042022-A1 BENZOHETEROCYCLES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed