SCHEMBL27800319

SCHEMBL27800319

CC(C(=O)C(C)c1ccccc1Nc1ccccc1)c1ccccc1Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 6/20 0.53
MAPT P10636 6/20 0.49
ALOX15 P16050 1/20 0.49
FABP4 P15090 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL360591 0.89 CXCL8 (0.65) CXCL8MAPTALOX15FABP4MEN1
SCHEMBL16539266 0.86 CXCL8 (0.64) CXCL8MAPTALOX15FABP4MEN1
SCHEMBL27779016 0.81 CXCR2 (0.46) CXCL8MAPTMEN1KMT2AALDH1A1
SCHEMBL27800291 0.81 MEN1 (0.48) CXCL8MAPTALOX15MEN1KMT2A
SCHEMBL27779943 0.79 CXCL8 (0.45) CXCL8MAPTALDH1A1HPGDKDM4E
SCHEMBL7979001 0.79 TDP1 (0.50) MAPTALOX15FABP4MEN1KMT2A
SCHEMBL27800317 0.76 DHODH (0.56) MAPTMEN1KMT2AALDH1A1RXFP1
SCHEMBL30285203 0.76 ALDH1A1 (0.53) CXCL8MAPTALOX15MEN1KMT2A
SCHEMBL31310572 0.75 MAPT (0.42) CXCL8MAPTALOX15FABP4MEN1
SCHEMBL20385231 0.75 MAPT (0.50) MAPTALOX15FABP4MEN1KMT2A

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
CN-101679270-B Dihydroquinone and dihydronaphthyridine inhibitors of JNK HOFFMANN LA ROCHE 2013-05-01 CN disclosed
CN-101679270-A Dihydroquinone and dihydronaphthyridine inhibitors of JNK HOFFMANN LA ROCHE 2010-03-24 CN disclosed