SCHEMBL6466541

SCHEMBL6466541

O=C1C(Cl)=C(c2cccnc2)C(=O)N1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
DHPS P49366 4/20 0.49
CYP2E1 P05181 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2A6 P11509 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP2C19 P33261 1/20 0.49
NR1H2 P55055 2/20 0.48
NR1H3 Q13133 2/20 0.48
KDM4E B2RXH2 3/20 0.46
UBE2N P61088 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 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
SCHEMBL4688137 0.93 KDM4E (0.51) L3MBTL1DHPSCYP2E1CYP3A4CYP2D6
SCHEMBL6431729 0.84 NR1H2 (0.51) L3MBTL1NR1H2NR1H3KDM4EALDH1A1
SCHEMBL6427487 0.82 DHPS (0.46) L3MBTL1DHPSCYP2E1CYP3A4CYP2D6
SCHEMBL6427000 0.75 NR1H2 (0.60) L3MBTL1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30875783 0.75 RGS4 (0.60) L3MBTL1DHPSCYP2E1CYP3A4CYP2D6
SCHEMBL29259507 0.75 RGS4 (0.60) L3MBTL1DHPSCYP2E1CYP3A4CYP2D6
SCHEMBL15437828 0.75 NR1H2 (0.70) NR1H2NR1H3ALDH1A1MEN1KMT2A
SCHEMBL5049894 0.75 ELANE (0.64) L3MBTL1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL6426236 0.74 MAPT (0.46) L3MBTL1NR1H2NR1H3KDM4EALDH1A1
SCHEMBL6442280 0.74 MAPT (0.46) L3MBTL1NR1H2NR1H3KDM4EALDH1A1

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-2005024755-A2 MEDICAMENTS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS OR DIABETES DECIPHERA PHARMACEUTICALS, LLC. (US) 2005-03-17 WO disclosed