SCHEMBL11330373

SCHEMBL11330373

Cc1ncccc1OC([O])=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.43
▸ SSTR4 P31391 2/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ CHRNB2 P17787 3/20 0.40
▸ CHRNA4 P43681 3/20 0.40
▸ HTR2C P28335 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ METAP2 P50579 1/20 0.38
▸ METAP1 P53582 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ CHRNB1 P11230 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNB3 Q05901 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37

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
SCHEMBL13458380 0.85 KDM4E (0.51) P2RX7MKNK1MKNK2LMNAKDM4E
SCHEMBL7626781 0.83 MKNK1 (0.46) P2RX7SSTR4MKNK1MKNK2CHRNB2
SCHEMBL7806397 0.81 KDM4E (0.50) P2RX7SSTR4MKNK1MKNK2CHRNB2
SCHEMBL8020420 0.80 P2RX7 (0.44) P2RX7SSTR4MKNK1MKNK2CHRNB2
SCHEMBL29852338 0.80 P2RX7 (0.44) P2RX7SSTR4CHRNB2CHRNA4LMNA
SCHEMBL7816179 0.79 P2RX7 (0.54) P2RX7SSTR4MKNK1MKNK2CHRNB2
SCHEMBL11683733 0.78 P2RX7 (0.45) P2RX7SSTR4CHRNB2CHRNA4HTR2C
SCHEMBL28779579 0.78 KMT2A (0.44) P2RX7SSTR4CHRNB2CHRNA4LMNA
SCHEMBL6545410 0.74 ADORA2A (0.50) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL9965997 0.74 L3MBTL1 (0.56) P2RX7CHRNB2CHRNA4KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023207942-A1 NUCLEOSIDE DRUG FOR TREATING OR PREVENTING CORONAVIRUS INFECTION, AND USE THEREOF 北京沐华生物科技有限责任公司 2023-11-02 — — WO claimed
EP-0000745-B1 SALT OF AN OPTICALLY ACTIVE ISOMER OF PHENYLGLYCINE AND AN OPTICALLY ACTIVE ISOMER OF 2-AMINO BUTANOL AND PROCESS FOR ITS PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-15 — — EP claimed
EP-0000745-B1 SALT OF AN OPTICALLY ACTIVE ISOMER OF PHENYLGLYCINE AND AN OPTICALLY ACTIVE ISOMER OF 2-AMINO BUTANOL AND PROCESS FOR ITS PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-15 — — EP disclosed
US-4182899-A Optical resolution of amino acids into optical antipodes HOECHST AKTIENGESELLSCHAFT (DE) 1980-01-08 — — US disclosed
EP-0000745-A1 Salt of an optically active isomer of phenylglycine and an optically active isomer of 2-amino butanol and process for its preparation HOECHST AKTIENGESELLSCHAFT (DE) 1979-02-21 — — EP disclosed
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