SCHEMBL9753517

SCHEMBL9753517

O=C(O)c1cccc2ncc(C(=O)O)n12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
TGFBR1 P36897 4/20 0.38
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ALOX15 P16050 2/20 0.34
TSHR P16473 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
EPHB3 P54753 1/20 0.34
TGFBR2 P37173 1/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL8378650 0.87 TGFBR1 (0.36) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL21816320 0.84 TGFBR1 (0.39) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL29882522 0.84 TGFBR1 (0.41) TGFBR1RAB9ANPC1KDM4ETGFBR2
SCHEMBL8609510 0.83 HDAC4 (0.34) HDAC4HDAC1HDAC7HDAC8HDAC6
Lithium SCHEMBL31337115 0.82 TGFBR1 (0.40) TGFBR1RAB9ANPC1KDM4ETGFBR2
Lithium Ion SCHEMBL31133356 0.82 TGFBR1 (0.40) TGFBR1RAB9ANPC1KDM4ETGFBR2
SCHEMBL8609509 0.81 TGFBR1 (0.34) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL12549863 0.80 HDAC4 (0.34) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL8607229 0.80 LMNA (0.35) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL8605173 0.80 P4HTM (0.36) TGFBR1RAB9ANPC1TDP1KDM4E

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
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP claimed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO claimed
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP disclosed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO disclosed