SCHEMBL5680469

SCHEMBL5680469

O=C(O)c1cccc2ncccc12.[NaH]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.59
ACLY P53396 1/20 0.57
KDM4E B2RXH2 6/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.53
MAPT P10636 3/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
BLM P54132 1/20 0.53
AGER Q15109 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4A O75164 2/20 0.53
EGLN1 Q9GZT9 2/20 0.53
KDM6B O15054 1/20 0.53
KDM6A O15550 1/20 0.53
TET3 O43151 1/20 0.53
KDM4B O94953 1/20 0.53
KDM5C P41229 1/20 0.53

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
SCHEMBL29550511 0.98 NSD2 (0.60) NSD2ACLYKDM4ETDP1L3MBTL1
SCHEMBL335469 0.98 NSD2 (0.60) NSD2ACLYKDM4ETDP1L3MBTL1
Hydrochloric Acid SCHEMBL5450942 0.96 NSD2 (0.59) NSD2ACLYKDM4ETDP1L3MBTL1
SCHEMBL5680479 0.96 NSD2 (0.59) NSD2ACLYKDM4ETDP1L3MBTL1
SCHEMBL28727190 0.96 NSD2 (0.59) NSD2ACLYKDM4ETDP1L3MBTL1
Formaldehyde SCHEMBL27690889 0.95 NSD2 (0.57) NSD2ACLYKDM4ETDP1L3MBTL1
Acetic Acid SCHEMBL27656229 0.93 NSD2 (0.56) NSD2ACLYKDM4ETDP1L3MBTL1
Alcohol SCHEMBL28316967 0.90 NSD2 (0.57) NSD2ACLYKDM4ETDP1L3MBTL1
Aziridine SCHEMBL27648195 0.90 NSD2 (0.54) NSD2ACLYKDM4ETDP1L3MBTL1
Quinoline SCHEMBL27803388 0.90 NR4A1 (0.58) NSD2ACLYKDM4ETDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628989-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2006-12-20 EP disclosed
EP-1628989-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-01 EP disclosed
WO-2004101587-A1 NOVEL 14 AND 15 MEMBERRED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-11-25 WO disclosed