SCHEMBL7734082

SCHEMBL7734082

O=C1CC(=O)N(Cc2ccc(Br)cc2)C(=O)N1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.66
KMT2A Q03164 8/20 0.66
MAPT P10636 6/20 0.66
ALDH1A1 P00352 5/20 0.66
HSD17B10 Q99714 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HBB P68871 2/20 0.51
PKM P14618 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PSMD14 O00487 1/20 0.51
POLB P06746 1/20 0.51
MMP2 P08253 1/20 0.51
DNMT1 P26358 1/20 0.51
APEX1 P27695 1/20 0.51
PTPN7 P35236 1/20 0.51
RECQL P46063 1/20 0.51
KDM4C Q9H3R0 1/20 0.51

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
SCHEMBL30998816 0.83 ALDH1A1 (0.72) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL77739 0.83 KMT2A (0.73) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL18835712 0.81 MEN1 (0.67) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL15419594 0.80 KMT2A (0.65) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL5014343 0.80 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL17717942 0.78 KMT2A (0.59) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL5767794 0.74 CA12 (0.58) KMT2AALDH1A1POLBALOX12KDM4E
SCHEMBL10341796 0.74 KMT2A (0.68) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL2773670 0.72 CHRM5 (0.44) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL840894 0.72 EPHX2 (0.47) ALDH1A1POLBCNR1KDM4ECHRM5

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
US-6413936-B1 RHEUMATIC DISORDERS; ANTIISCHEMIC AGENTS GLYCOREX AB (SE) 2002-07-02 US disclosed