SCHEMBL1708815

SCHEMBL1708815

NNc1cc(N)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.39
CYP3A4 P08684 8/20 0.37
ALDH1A1 P00352 7/20 0.37
TDP1 Q9NUW8 6/20 0.37
ALOX15 P16050 5/20 0.37
HSD17B10 Q99714 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.37
RECQL P46063 3/20 0.37
BLM P54132 2/20 0.37
THRB P10828 2/20 0.37
HPGD P15428 2/20 0.37
PKM P14618 2/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
MCL1 Q07820 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL27148653 0.81 CYP3A4 (0.48) CYP3A4ALDH1A1TDP1ALOX15HSD17B10
SCHEMBL3158954 0.81 MAPT (0.43) CASP1CYP3A4ALDH1A1TDP1ALOX15
SCHEMBL7589418 0.79 CASP1 (0.44) CASP1CYP3A4ALDH1A1TDP1ALOX15
Hydrochloric Acid SCHEMBL28937662 0.77 CASP1 (0.42) CASP1CYP3A4ALDH1A1TDP1ALOX15
SCHEMBL19511618 0.77 MAPT (0.40) CASP1CYP3A4ALDH1A1TDP1ALOX15
SCHEMBL16543023 0.77 CASP1 (0.42) CASP1CYP3A4ALDH1A1TDP1ALOX15
SCHEMBL15360270 0.75 ALDH1A1 (0.52) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL21733236 0.75 ALDH1A1 (0.54) CYP3A4ALDH1A1TDP1ALOX15HSD17B10
SCHEMBL10140559 0.75 TDP1 (0.54) CYP3A4ALDH1A1TDP1ALOX15HSD17B10
SCHEMBL21594550 0.74 PTK2 (0.38) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017028816-A1 INDOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF IN PHARMACEUTICAL DRUG 浙江海正药业股份有限公司 2017-02-23 WO disclosed
US-8906474-B2 Alignment film, composition for forming alignment film and liquid crystal display device JAPAN DISPLAY INC. (JP) 2014-12-09 US disclosed
US-8906474-B2 Alignment film, composition for forming alignment film and liquid crystal display device JAPAN DISPLAY INC. (JP) 2014-12-09 US disclosed
US-20120088040-A1 ALIGNMENT FILM, COMPOSITION FOR FORMING ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE MAGNOLIA WHITE CORPORATION (JP) 2012-04-12 US disclosed
US-20120088040-A1 ALIGNMENT FILM, COMPOSITION FOR FORMING ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE MAGNOLIA WHITE CORPORATION (JP) 2012-04-12 US disclosed