SCHEMBL27483416

SCHEMBL27483416

CN(C)c1cccc(C(=O)Nc2ccc(CN)c(NC(=O)c3ccc(O)cc3)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.73
RAF1 P04049 2/20 0.73
KDM4E B2RXH2 2/20 0.73
ALDH1A1 P00352 2/20 0.73
MAPT P10636 2/20 0.73
HPGD P15428 2/20 0.73
TP53 P04637 1/20 0.73
CYP1A2 P05177 1/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2C9 P11712 1/20 0.73
BRAF P15056 1/20 0.73
ALOX15 P16050 1/20 0.73
MAPK11 Q15759 1/20 0.73
HSD17B10 Q99714 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
HDAC6 Q9UBN7 1/20 0.73
SMO Q99835 2/20 0.56
KCNK3 O14649 2/20 0.49

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
SCHEMBL27515239 0.93 MAPK14 (0.62) MAPK14RAF1KDM4EALDH1A1MAPT
SCHEMBL27498043 0.91 MAPK14 (0.60) MAPK14RAF1KDM4EALDH1A1MAPT
SCHEMBL27497052 0.88 MAPK14 (0.56) MAPK14RAF1KDM4EALDH1A1MAPT
SCHEMBL27497712 0.87 MAPK14 (0.55) MAPK14RAF1KDM4EALDH1A1MAPT
SCHEMBL27527556 0.86 MAPK14 (0.75) MAPK14RAF1KDM4EALDH1A1MAPT
SCHEMBL27498040 0.85 MAPK14 (0.78) MAPK14RAF1KDM4EALDH1A1MAPT
SCHEMBL27527548 0.85 DEGS1 (0.54) MAPK14RAF1KDM4EALDH1A1MAPT
SCHEMBL29354376 0.84 MAPK14 (1.00) MAPK14RAF1KDM4EALDH1A1MAPT
SCHEMBL29388528 0.84 MAPK14 (1.00) MAPK14RAF1KDM4EALDH1A1MAPT
SCHEMBL1424183 0.84 MAPK14 (1.00) MAPK14RAF1KDM4EALDH1A1MAPT

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
CN-105579044-A Use of dianhydrogalactitol and analogs and derivatives thereof for treating recurrent malignant glioma or progressive secondary brain tumor DEL MAR PHARMACEUTICALS 2016-05-11 CN disclosed
CN-104940126-A Controlled-release otic structure modulating and innate immune system modulating compositions and methods for the treatment of otic disorders OTONOMY INC 2015-09-30 CN disclosed
CN-102105133-B Controlled release otic structure modulating and innate immune system modulating compositions and methods of treating otic disorders OTONOMY INC 2015-06-17 CN disclosed
CN-104491864-A Controlled Release Antimicrobial Compositions And Methods For The Treatment Of Otic Disorders OTONOMY INC 2015-04-08 CN disclosed
CN-102014957-B Otic formulations for the treatment of otic diseases and conditions OTONOMY INC 2014-12-10 CN disclosed
CN-103814032-A 4-oxo-3,5,7,8-tetrahydro-4h-pyrano{4,3-d} pyrminidinyl compounds for use as tankyrase inhibitors NOVARTIS AG 2014-05-21 CN disclosed
CN-103797006-A 4-piperidinyl compounds useful as tankyrase inhibitors NOVARTIS AG 2014-05-14 CN disclosed
CN-103781776-A Novel 2-piperidin-1-yl-acetamide compounds for use as tankyrase inhibitors NOVARTIS AG 2014-05-07 CN disclosed
CN-1185211-C Benzamide derivatives for the treatment of diseases caused by cytokines ASTRA ZENECA LTD (SE) 2005-01-19 CN disclosed
CN-1271279-A Amide derivatives for the treatment of diseases mediated by cytokines ZENECA LTD (GB) 2000-10-25 CN disclosed