SCHEMBL8607229

SCHEMBL8607229

O=C(O)c1cnc2cccc(C(O)C(=O)O)n12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
TGFBR1 P36897 3/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN7 P35236 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR2 Q92731 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL8885524 0.81 PGK1 (0.37) TGFBR1NPC1RAB9AEPHB3
SCHEMBL9753517 0.80 HDAC4 (0.40) LMNATGFBR1NPC1RAB9APOLB
SCHEMBL8607657 0.80 PTPRA (0.40) TGFBR1
SCHEMBL8607364 0.80 TGFBR1 (0.34) TGFBR1ALDH1A1TDP1EPHB3
SCHEMBL8887171 0.77 PGK1 (0.41) TGFBR1ALDH1A1TDP1EPHB3
SCHEMBL29882522 0.76 TGFBR1 (0.41) LMNATGFBR1NPC1RAB9APOLB
SCHEMBL8378650 0.76 TGFBR1 (0.36) TGFBR1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL9753704 0.76
SCHEMBL8605173 0.75 P4HTM (0.36) TGFBR1NPC1RAB9APOLBL3MBTL1
SCHEMBL8606395 0.75 EPHB3 (0.33) LMNATGFBR1NPC1RAB9AKMT2A

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
US-5716964-A BRAIN DISORDERS; ANTIISCHEMIC AGENTS G.D. SEARLE & CO. (US) 1998-02-10 US disclosed
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