SCHEMBL6989667

SCHEMBL6989667

O=C(O)c1ccc2c(c1)c(-c1ccco1)nn2C1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
NSD2 O96028 1/20 0.45
THRB P10828 1/20 0.45
PABPC1 P11940 1/20 0.45
TNNI3 P19429 1/20 0.45
TNNT2 P45379 1/20 0.45
TNNC1 P63316 1/20 0.45
HSD17B10 Q99714 3/20 0.42
USP2 O75604 2/20 0.42
RECQL P46063 2/20 0.42
BLM P54132 2/20 0.42
ESR2 Q92731 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL5377187 0.82 ATR (0.36) POLBMEN1KMT2AGAAALDH1A1
SCHEMBL5377824 0.82 KMT2A (0.41) POLBMEN1KMT2AGAAALDH1A1
SCHEMBL9904464 0.79 HCAR3 (0.43) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL17801039 0.79 HCAR3 (0.43) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL29444527 0.79 HCAR3 (0.43) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL30040921 0.79 L3MBTL1 (0.44) POLBMEN1KMT2AGAAALDH1A1
SCHEMBL10324481 0.79 L3MBTL1 (0.44) POLBMEN1KMT2AGAAALDH1A1
SCHEMBL23535805 0.78 CNR1 (0.45) GAAHSD17B10HCAR3RXRARXRB
Lithium SCHEMBL30864302 0.78 L3MBTL1 (0.43) POLBMEN1KMT2AGAAALDH1A1
SCHEMBL30040880 0.78 CNR1 (0.45) GAAHSD17B10HCAR3RXRARXRB

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-1313711-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-05-28 EP disclosed
WO-2002010137-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-02-07 WO disclosed