SCHEMBL20184160

SCHEMBL20184160

Cc1nccnc1C.O=C(O)c1nccnc1Cl.O=C1NN1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HCAR2 Q8TDS4 2/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.35
MYC P01106 1/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 2/20 0.33
ALOX15 P16050 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP3A4 P08684 1/20 0.33
BLM P54132 1/20 0.33
AGER Q15109 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.32
ASPH Q12797 1/20 0.32
KDM8 Q8N371 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL569230 0.82 SMN1; SMN2 (0.48) KDM4EALDH1A1MAPTSMN1; SMN2HCAR2
SCHEMBL30042917 0.82 SMN1; SMN2 (0.48) KDM4EALDH1A1MAPTSMN1; SMN2HCAR2
Hydrochloric Acid SCHEMBL1452738 0.80 LMNA (0.47) KDM4EALDH1A1MAPTSMN1; SMN2HCAR2
SCHEMBL20184144 0.75 PDE3B (0.39) ALDH1A1SMN1; SMN2LMNA
SCHEMBL287450 0.73 KDM4E (0.47) KDM4EALDH1A1MAPTHCAR2PKM
SCHEMBL29526925 0.73 KDM4E (0.47) KDM4EALDH1A1MAPTHCAR2PKM
Hydrochloric Acid SCHEMBL5755935 0.72 KDM4E (0.46) KDM4EALDH1A1MAPTHCAR2PKM
SCHEMBL3701660 0.68 PDE3B (0.38) KDM4EALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL29434463 0.68 PDE3B (0.38) KDM4EALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL5684624 0.67 SMN1; SMN2 (0.40) KDM4EALDH1A1MAPTSMN1; SMN2HCAR2

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-3325446-A1 SUBSTITUTED ARYL AND HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2018-05-30 EP disclosed