SCHEMBL16627620

SCHEMBL16627620

CN(C(=O)c1cc2ccccc2[nH]c1=O)c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAOB P27338 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
BRD4 O60885 1/20 0.43
DAO P14920 1/20 0.43
DDO Q99489 1/20 0.43
PADI4 Q9UM07 1/20 0.43
KDM4E B2RXH2 10/20 0.43
TSHR P16473 3/20 0.43
HSD17B10 Q99714 3/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
SMYD3 Q9H7B4 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL3644717 0.89 MAOB (0.56) ALDH1A1MEN1KMT2AMAOBSMN1; SMN2
SCHEMBL16627895 0.88 MEN1 (0.58) ALDH1A1MEN1KMT2AMAOBSMN1; SMN2
SCHEMBL16627851 0.85 MEN1 (0.46) ALDH1A1MEN1KMT2AMAOBSMN1; SMN2
SCHEMBL16627840 0.85 MEN1 (0.46) ALDH1A1MEN1KMT2AMAOBSMN1; SMN2
SCHEMBL16627893 0.84 KMT2A (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL16627847 0.83 ATM (0.50) ALDH1A1MEN1KMT2AMAOBSMN1; SMN2
SCHEMBL16627846 0.83 KDM4E (0.50) ALDH1A1MEN1KMT2AMAOBSMN1; SMN2
SCHEMBL7349368 0.81 BRD4 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2BRD4
SCHEMBL16627578 0.76 BRD4 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2BRD4
SCHEMBL34468718 0.74 KDM4E (0.62) ALDH1A1MEN1KMT2ASMN1; SMN2BRD4

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-2015050379-A1 NOVEL QUINOLINONE DERIVATIVE AND USE THEREOF 광주과학기술원 2015-04-09 WO disclosed