SCHEMBL10654031

SCHEMBL10654031

CC(=O)c1ncccc1C(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 5/20 0.50
ALOX15 P16050 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 2/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50
AGER Q15109 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
P2RX7 Q99572 1/20 0.43
NAPRT Q6XQN6 2/20 0.40
MYC P01106 2/20 0.38
CYP1A2 P05177 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL187727 0.86 KDM4E (0.55) KDM4EALDH1A1ALOX15L3MBTL1MAPT
SCHEMBL890368 0.86 KDM4E (0.55) KDM4EALDH1A1ALOX15L3MBTL1MAPT
Hydrochloric Acid SCHEMBL28182285 0.84 KDM4E (0.53) KDM4EALDH1A1ALOX15L3MBTL1MAPT
SCHEMBL9275469 0.82 KDM4E (0.74) KDM4EALDH1A1ALOX15L3MBTL1MAPT
SCHEMBL2584629 0.82 ALDH1A1 (0.74) KDM4EALDH1A1ALOX15L3MBTL1MAPT
Hydrochloric Acid SCHEMBL9630450 0.81 ALDH1A1 (0.71) KDM4EALDH1A1ALOX15L3MBTL1MAPT
SCHEMBL2488255 0.81 PARP1 (0.53) KDM4EALDH1A1ALOX15L3MBTL1MAPT
SCHEMBL2372518 0.80 L3MBTL1 (0.57) KDM4EALDH1A1ALOX15L3MBTL1MAPT
SCHEMBL3263627 0.79 KDM4E (0.65) KDM4EALDH1A1ALOX15L3MBTL1MAPT
SCHEMBL2800466 0.78 L3MBTL1 (0.54) KDM4EALDH1A1ALOX15L3MBTL1MAPT

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-0258182-A1 Semicarbazones and thiosemicarbazones SANDOZ AG (CH) 1988-03-02 EP disclosed