SCHEMBL7516634

SCHEMBL7516634

Oc1cccc2c1Cc1ccccc1N2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
THRB P10828 2/20 0.47
KDM4E B2RXH2 2/20 0.47
AHR P35869 1/20 0.47
PDK2 Q15119 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HK1 P19367 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
GALK1 P51570 1/20 0.47
BLM P54132 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
SRC P12931 2/20 0.45
DRD2 P14416 1/20 0.45
DRD1 P21728 1/20 0.45
DRD5 P21918 1/20 0.45

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
SCHEMBL27909574 0.86 CA1 (0.42) MEN1MAPTKMT2ANPC1THRB
SCHEMBL15196679 0.81 MAPT (0.56) MEN1MAPTKMT2ANPC1THRB
SCHEMBL29757969 0.80 NPC1 (0.50) MEN1MAPTKMT2ANPC1THRB
SCHEMBL20777507 0.77 BCL2L1 (0.45) RECQLDRD2DRD1DRD5DRD3
SCHEMBL25275193 0.77 MAPT (0.47) MEN1MAPTKMT2ANPC1THRB
SCHEMBL88280 0.77 MAPT (0.47) MEN1MAPTKMT2ANPC1THRB
SCHEMBL29896031 0.77 MAPT (0.47) MEN1MAPTKMT2ANPC1THRB
SCHEMBL5141694 0.77 NPC1 (0.47) MEN1MAPTKMT2ANPC1THRB
Acridan SCHEMBL4012624 0.77 MAPT (0.60) MEN1MAPTKMT2ANPC1THRB
SCHEMBL4012626 0.77 MEN1 (0.43) MEN1MAPTKMT2ANPC1THRB

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
CN-112400025-A Measurement of 3M创新有限公司 2021-02-23 CN disclosed
EP-1119554-A4 XANTHAN-ESTER AND ACRIDAN SUBSTRATES FOR HORSERADISH PEROXIDASE TROPIX INC (US) 2002-05-08 EP disclosed
EP-1119554-A1 XANTHAN-ESTER AND ACRIDAN SUBSTRATES FOR HORSERADISH PEROXIDASE TROPIX, INC. (US) 2001-08-01 EP disclosed
US-6162610-A Xanthan-ester and acridan substrates for horseradish peroxidase TROPIX, INC. (US) 2000-12-19 US disclosed
WO-2000015618-A1 XANTHAN-ESTER AND ACRIDAN SUBSTRATES FOR HORSERADISH PEROXIDASE TROPIX, INC. (US) 2000-03-23 WO disclosed