SCHEMBL5757411

SCHEMBL5757411

[c]1ccc2nc(-c3ccc4[nH]cnc4c3)[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.40
KMT2A Q03164 9/20 0.40
ALDH1A1 P00352 9/20 0.40
KDM4E B2RXH2 8/20 0.40
MAPT P10636 8/20 0.40
SMN1; SMN2 Q16637 8/20 0.40
POLB P06746 7/20 0.40
HPGD P15428 7/20 0.40
HSD17B10 Q99714 5/20 0.40
USP2 O75604 4/20 0.40
GLA P06280 3/20 0.40
BLM P54132 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
RECQL P46063 2/20 0.40
THRB P10828 2/20 0.40
PKM P14618 2/20 0.40
NFKB1 P19838 2/20 0.40
GMNN O75496 1/20 0.40
CYP3A4 P08684 1/20 0.40
APEX1 P27695 1/20 0.40

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
SCHEMBL8671614 0.89 QPCT (0.38) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2569383 0.80 NPC1 (0.56) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL30822560 0.80 NPC1 (0.56) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL21409923 0.80 MEN1 (0.68) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2686936 0.79 NPC1 (0.54) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL21409922 0.78 MEN1 (0.53) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL14669368 0.77 MEN1 (0.64) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL1459333 0.76 NPC1 (0.56) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL29002247 0.75 ALDH1A1 (0.63) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL14669372 0.75 NPC1 (0.49) MEN1KMT2AALDH1A1KDM4EMAPT

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-1734034-A2 Carboxylic acid salts of beta-alanine esters or -amides Warner-Lambert Company LLC (US) 2006-12-20 EP disclosed