SCHEMBL723883

SCHEMBL723883

COc1ccc(-c2cc3nccc(-c4ccccc4)c3o2)cc1NC(=O)[C@@H]1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.41
KDM4E B2RXH2 5/20 0.40
LTB4R Q15722 1/20 0.39
HSD17B10 Q99714 2/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
CD274 Q9NZQ7 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL16817233 0.88 KDM4E (0.36) KDM4ELTB4RHSD17B10ALDH1A1GAA
SCHEMBL723072 0.86 LTB4R (0.40) KDM4ELTB4RHSD17B10ALDH1A1GAA
SCHEMBL723076 0.84 SCN9A (0.44) AAK1HSD17B10HDAC1HDAC2HDAC3
SCHEMBL724091 0.84 AAK1 (0.41) AAK1HPGDSUV39H2CCNKCDK12
SCHEMBL16817166 0.79 VCP (0.36) KDM4ELTB4RHSD17B10HDAC1HDAC8
SCHEMBL10268961 0.75 PFKFB2 (0.49) AAK1
SCHEMBL16817177 0.74 FAAH (0.43) KDM4EHSD17B10ALDH1A1HPGDNPC1
SCHEMBL16817172 0.74 FAAH (0.36) ALDH1A1HPGDTDP1EGFR
SCHEMBL12503588 0.73 IKBKB (0.43) KDM4EHSD17B10ALDH1A1HPGDNPC1
SCHEMBL12503589 0.72 ALDH1A1 (0.46) KDM4EALDH1A1HPGDNPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US claimed
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed