SCHEMBL5219663

SCHEMBL5219663

CN(Cc1ccccc1)C(=O)c1c[nH]cn1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 2/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
CNR1 P21554 1/20 0.50
HPGD P15428 1/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 3/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
ALDH1A1 P00352 1/20 0.48
APOBEC3G Q9HC16 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PIN1 Q13526 1/20 0.46

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
SCHEMBL1827955 0.87 NPC1 (0.43) APOBEC3AKMT2AMEN1CNR1RAB9A
SCHEMBL1831964 0.86 NPC1 (0.45) APOBEC3AKMT2AMEN1CNR1RAB9A
SCHEMBL31098597 0.77 CNR1 (0.56) APOBEC3AKMT2AMEN1CNR1HPGD
SCHEMBL13903890 0.76 KMT2A (0.63) KMT2AMEN1CNR1HPGDRAB9A
SCHEMBL6974227 0.75 NPC1 (0.44) APOBEC3AKMT2AMEN1HPGDRAB9A
Histidine SCHEMBL6813039 0.72 ALPI (0.43) APOBEC3AKMT2AMEN1HPGDRAB9A
SCHEMBL6966973 0.72 ROCK2 (0.50) APOBEC3AKMT2AMEN1HPGDRAB9A
SCHEMBL1003665 0.72 KMT2A (0.83) KMT2AMEN1HPGDRAB9ANPC1
SCHEMBL11942319 0.72 KMT2A (0.59) KMT2AMEN1HPGDRAB9ANPC1
SCHEMBL180384 0.71 NPC1 (0.73) KMT2AMEN1HPGDRAB9ANPC1

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
EP-1740549-A2 NOVEL IMIDAZOLES Warner-Lambert Company LLC (US) 2007-01-10 EP disclosed
WO-2005105079-A2 NOVEL IMIDAZOLES WARNER-LAMBERT COMPANY LLC (US) 2005-11-10 WO disclosed