SCHEMBL10338166

SCHEMBL10338166

CCc1nn(-c2ccc(Cl)cc2)c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
ELANE P08246 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CCNE2 O96020 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36

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
SCHEMBL29001531 0.85 TSHR (0.42) KMT2AMEN1SMN1; SMN2GAANPC1
SCHEMBL28114764 0.84 L3MBTL1 (0.35) KMT2AMEN1L3MBTL1POLBADORA3
SCHEMBL10274594 0.83 ADORA3 (0.47) SMN1; SMN2L3MBTL1POLBADORA3ALDH1A1
SCHEMBL7067294 0.78 GAA (0.47) KMT2AMEN1SMN1; SMN2GAANPC1
SCHEMBL28414462 0.73 KMT2A (0.57) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL29001509 0.71 HCAR1 (0.42) ADORA3ALDH1A1TSHRLMNACCNE1
SCHEMBL29001520 0.70 TSHR (0.40) KMT2AMEN1SMN1; SMN2GAAMAPT
SCHEMBL7654423 0.70 ALDH1A1 (0.47) KMT2AMEN1SMN1; SMN2GAANPC1
SCHEMBL9033166 0.69 PARP1 (0.48) SMN1; SMN2RAB9AMAPTL3MBTL1ADORA3
SCHEMBL7909905 0.68 KMT2A (0.58) KMT2AMEN1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2015069-A None JP disclosed
JP-H0215069-A DELTA2-1,2,4-TRIAZOLIN-5-ONE DERIVATIVE, ITS PRODUCTION AND ANTI-INFLAMMATORY AGENT CONTAINING SAID DERIVATIVE AS ACTIVE COMPONENT KAKEN PHARMACEUT CO LTD 1990-01-18 JP disclosed