SCHEMBL17040563

SCHEMBL17040563

CC(C)Oc1ccc(Cl)cc1C(=O)NN

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.51
KCNMA1 Q12791 2/20 0.47
P2RX3 P56373 1/20 0.47
HMOX1 P09601 1/20 0.47
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC9A1 P19634 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RORC P51449 1/20 0.44
OGG1 O15527 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL30843149 0.85 ALDH1A1 (0.57) ALDH1A1MAPTKDM4ELMNAKCNMA1
SCHEMBL16261149 0.83 LMNA (0.72) ALDH1A1MAPTKDM4ELMNAKCNMA1
SCHEMBL16146937 0.83 IRAK4 (0.60) ALDH1A1MAPTKDM4EP2RX3HMOX1
SCHEMBL3045049 0.82 KMT2A (0.52) ALDH1A1MAPTLMNAKCNMA1HMOX1
Hydrochloric Acid SCHEMBL726186 0.81 LMNA (0.70) ALDH1A1MAPTKDM4ELMNAKCNMA1
SCHEMBL3412460 0.81 ABL1 (0.53) ALDH1A1MAPTLMNAKCNMA1HMOX1
SCHEMBL17040592 0.81 TSHR (0.53) ALDH1A1KDM4EGAASLC9A1SMN1; SMN2
Hydrochloric Acid SCHEMBL3045694 0.81 CSNK2A1 (0.47) ALDH1A1LMNAHMOX1KMT2ASLC9A1
SCHEMBL17040662 0.80 ALDH1A1 (0.58) ALDH1A1MAPTKDM4ELMNAKCNMA1
SCHEMBL3049895 0.79 ALDH1A1 (0.44) ALDH1A1MAPTLMNAHMOX1GAA

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