SCHEMBL8020420

SCHEMBL8020420

Cc1ncccc1OC(=O)CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ CHRNB2 P17787 3/20 0.40
▸ CHRNA4 P43681 3/20 0.40
▸ SSTR4 P31391 2/20 0.40
▸ CHRNB1 P11230 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNB3 Q05901 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GCK P35557 1/20 0.37
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL29852338 0.86 P2RX7 (0.44) P2RX7L3MBTL1LMNAGAASMN1; SMN2
SCHEMBL28779579 0.83 KMT2A (0.44) P2RX7L3MBTL1LMNAGAASMN1; SMN2
SCHEMBL11683733 0.83 P2RX7 (0.45) P2RX7L3MBTL1LMNAGAASMN1; SMN2
SCHEMBL7806397 0.81 KDM4E (0.50) P2RX7L3MBTL1LMNAGAASMN1; SMN2
SCHEMBL13458380 0.80 KDM4E (0.51) P2RX7LMNAMKNK1MKNK2TDP1
SCHEMBL11330373 0.80 P2RX7 (0.43) P2RX7L3MBTL1LMNAMKNK1MKNK2
SCHEMBL7626781 0.79 MKNK1 (0.46) P2RX7LMNAMKNK1MKNK2CHRNB2
SCHEMBL28018480 0.79 POLM (0.52) LMNA
SCHEMBL7005171 0.76 P2RX7 (0.47) P2RX7LMNASMN1; SMN2CHRNB2CHRNA4
SCHEMBL7816179 0.75 P2RX7 (0.54) P2RX7L3MBTL1LMNAMKNK1MKNK2

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-0876344-B1 PYRIDYLACETIC ACID DERIVATIVES, METHOD AND INTERMEDIATE PRODUCTS FOR PRODUCING THEM AND AGENTS CONTAINING THEM BASF AG (DE) 2000-08-23 — — EP claimed
US-6043197-A PESTICIDES, FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-03-28 — — US disclosed
US-5965587-A PESTICIDES, FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-10-12 — — US disclosed
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