SCHEMBL17040662

SCHEMBL17040662

CCOc1ccc(Cl)cc1C(=O)NN

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.58
▸ LMNA P02545 1/20 0.56
▸ MAPT P10636 4/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ TSHR P16473 2/20 0.53
▸ TP53 P04637 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ KCNMA1 Q12791 1/20 0.53
▸ TAS1R3 Q7RTX0 1/20 0.50
▸ TAS1R1 Q7RTX1 1/20 0.50
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ MRGPRX1 Q96LB2 2/20 0.48
▸ ATM Q13315 1/20 0.47

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
SCHEMBL3385153 0.85 TSHR (0.50) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL11627993 0.84 MEN1 (0.53) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL16261149 0.84 LMNA (0.72) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL11314652 0.83 TSHR (0.51) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL17040919 0.83 SMN1; SMN2 (0.58) ALDH1A1LMNAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL726186 0.83 LMNA (0.70) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL17171668 0.83 KDM4E (0.54) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL7244617 0.83 HTR2A (0.52) LMNAMAPTKDM4EGAATSHR
SCHEMBL945720 0.82 TSHR (0.65) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL18045688 0.81 TSHR (0.58) ALDH1A1MAPTKDM4EMEN1KMT2A

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
WO-2015125785-A1 PYRAZOLONE DERIVATIVE HAVING MULTIPLE SUBSTITUENTS 第一三共株式会社 2015-08-27 — — WO disclosed
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