SCHEMBL5989816

SCHEMBL5989816

Cc1cc(I)ccc1Nc1cc([N+](=O)[O-])c2nccnc2c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
POLB P06746 1/20 0.39
MAPT P10636 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP3A4 P08684 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
MYC P01106 2/20 0.37
MAX P61244 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HCAR3 P49019 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL5989556 0.89 KMT2A (0.40) IDO1KMT2AMEN1TDP1CYP1A2
SCHEMBL27578006 0.89 IDO1 (0.37) IDO1KMT2AMEN1TDP1CYP1A2
SCHEMBL27577972 0.84 MAPT (0.35) KMT2AMEN1TDP1MAPTAKR1C3
SCHEMBL5989837 0.84 IDO1 (0.47) IDO1KMT2AMEN1TDP1CYP1A2
SCHEMBL5990863 0.81 MAP2K1 (0.53) IDO1KMT2AMEN1TDP1CYP1A2
SCHEMBL5991530 0.78 KMT2A (0.44) IDO1KMT2AMEN1TDP1CYP1A2
SCHEMBL27577985 0.75 IDO1 (0.39) IDO1KMT2AMEN1TDP1CYP1A2
SCHEMBL27578127 0.74 MAPT (0.33) CYP2C19MAPTLMNAHTTKDM4E
SCHEMBL5989310 0.74 MEN1 (0.54) IDO1KMT2AMEN1TDP1
SCHEMBL5989793 0.72 IDO1 (0.46) IDO1KMT2AMEN1TDP1CYP1A2

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 9 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
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