SCHEMBL10959459

SCHEMBL10959459

CC(=O)N(C(C)=O)C1=NN(c2ccccc2)CC1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 2/20 0.40
ABL1 P00519 3/20 0.38
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
CASP3 P42574 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
G6PD P11413 1/20 0.36
ATM Q13315 3/20 0.36
HPGD P15428 1/20 0.36
LOX P28300 1/20 0.36
LOXL3 P58215 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
SCHEMBL10656731 0.73 ABL1 (0.66) L3MBTL1KDM4EMAPK1ABL1GAA
SCHEMBL972562 0.73 L3MBTL1 (0.43) L3MBTL1KDM4EMAPK1ABL1GAA
SCHEMBL7719928 0.69 L3MBTL1 (0.40) L3MBTL1KDM4EMAPK1GAANPC1
SCHEMBL11050112 0.69 ALDH1A1 (0.46) L3MBTL1KDM4EMAPK1GAANPC1
SCHEMBL10656600 0.68 ABL1 (0.58) L3MBTL1KDM4EMAPK1ABL1GAA
SCHEMBL11059739 0.68 ABL1 (0.49) L3MBTL1KDM4EMAPK1ABL1GAA
SCHEMBL11091577 0.67 ABL1 (0.42) L3MBTL1KDM4EMAPK1ABL1GAA
SCHEMBL22331106 0.62 L3MBTL1 (0.42) L3MBTL1KDM4EMAPK1GAANPC1
SCHEMBL11013834 0.61 KDM4E (0.34) L3MBTL1KDM4EMAPK1GAANPC1
SCHEMBL27543838 0.60 L3MBTL1 (0.41) L3MBTL1KDM4EMAPK1GAANPC1

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
US-4556671-A Pharmaceutical formulations BURROUGHS WELLCOME CO. (US) 1985-12-03 US disclosed
EP-0022578-A1 Pharmaceutical compositions containing 3-Amino-pyrazoline derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1981-01-21 EP disclosed