SCHEMBL18106981

SCHEMBL18106981

COc1ccccc1NC(=O)ON1CCc2[nH]c3ncc(Cl)cc3c2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
MAPK1 P28482 3/20 0.57
ALOX15 P16050 2/20 0.57
GAA P10253 1/20 0.57
ALOX12 P18054 1/20 0.57
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TRPV1 Q8NER1 2/20 0.44
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL18106972 0.89 MAPT (0.43) MAPTMEN1KMT2AMAPK1ALOX15
SCHEMBL10139886 0.86 MAPT (0.77) MAPTMEN1KMT2AMAPK1ALOX15
SCHEMBL18106977 0.85 LIMK2 (0.43) MAPTMEN1KMT2AMAPK1ALOX15
SCHEMBL18106979 0.84 TRPV1 (0.42) MAPTMEN1KMT2AMAPK1ALOX15
SCHEMBL18106968 0.82 MAPT (0.47) MAPTMEN1KMT2AMAPK1ALOX15
SCHEMBL18106978 0.82 BAZ2B (0.40) MAPTMEN1KMT2AMAPK1ALOX15
SCHEMBL10139849 0.78 MAPT (0.56) MAPTMEN1KMT2AMAPK1ALOX15
SCHEMBL18106973 0.78 MAPT (0.39) MAPTMEN1KMT2AMAPK1ALOX15
Hydrochloric Acid SCHEMBL408968 0.78 ALOX15 (0.55) MAPTMEN1KMT2AMAPK1ALOX15
SCHEMBL18106970 0.77 MAPT (0.42) MAPTMEN1KMT2AMAPK1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367822-B1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2016-10-05 EP claimed