SCHEMBL4254446

SCHEMBL4254446

CN(CCC(=O)NN)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
TP53 P04637 1/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.40
MMP2 P08253 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
BCHE P06276 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
CTSD P07339 1/20 0.39

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
SCHEMBL4250578 0.85 RAB9A (0.41) L3MBTL1HTTMMP2ALDH1A1KDM4E
SCHEMBL2637695 0.83 TP53 (0.47) L3MBTL1CYP3A4CYP2C19TP53KMT2A
SCHEMBL4074053 0.83 MAPT (0.46) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4247537 0.82 L3MBTL1 (0.58) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL22026433 0.82 L3MBTL1 (0.44) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL28760421 0.82 L3MBTL1 (0.53) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL6831468 0.82 TP53 (0.46) L3MBTL1CYP3A4CYP2C19TP53KMT2A
SCHEMBL1033607 0.80 TP53 (0.44) L3MBTL1CYP3A4CYP2C19TP53KMT2A
SCHEMBL11792163 0.80 L3MBTL1 (0.51) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL9099535 0.79 USP2 (0.57) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C19

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-2009127815-A1 AMINOALYL-IMIDAZOTETRAZINES FOR TREATMENT OF CANCER THE UNIVERSITY OF BRADFORD (GB) 2009-10-22 WO disclosed