SCHEMBL28931171

SCHEMBL28931171

O=COCc1cc2ccccc2cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ PDE10A Q9Y233 4/20 0.39
▸ KDM4C Q9H3R0 1/20 0.38
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.35
▸ ADRB1 P08588 1/20 0.34
▸ ADRB3 P13945 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL28689056 0.83 L3MBTL1 (0.49) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL28673271 0.81 L3MBTL1 (0.54) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL28669057 0.80 L3MBTL1 (0.52) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL23174730 0.77 ATM (0.47) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL3155176 0.77 CYP1A2 (0.48) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL10544101 0.77 KCNH2 (0.60) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL11322378 0.74 PDE10A (0.46) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL27706169 0.74 PDE10A (0.58) CYP1A2PDE10AKDM4EALDH1A1SMN1; SMN2
SCHEMBL6598600 0.74 ATM (0.51) ATML3MBTL1CYP1A2CYP2A6PDPK1
SCHEMBL10667109 0.73 ALDH1A1 (0.47) ATML3MBTL1CYP1A2CYP2A6PDPK1

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
CN-113880063-B Aluminum removal method for phosphorus iron slag after lithium extraction of waste lithium iron phosphate and preparation method for battery grade iron phosphate 广东光华科技股份有限公司 2023-05-02 — — CN claimed
CN-113880063-A Aluminum removing method for ferrophosphorus slag after lithium extraction of waste lithium iron phosphate and preparation method of battery-grade ferric phosphate 广东光华科技股份有限公司 2022-01-04 — — CN claimed
CN-114250479-B Novel method for synthesizing alkyl-substituted nitrogen-containing heterocycle by cerium salt catalysis 北京工业大学 2023-09-01 — — CN disclosed
CN-114250479-A Novel method for synthesizing alkyl-substituted nitrogen-containing heterocycle under catalysis of cerium salt 北京工业大学 2022-03-29 — — CN disclosed
CN-113880063-A Aluminum removing method for ferrophosphorus slag after lithium extraction of waste lithium iron phosphate and preparation method of battery-grade ferric phosphate 广东光华科技股份有限公司 2022-01-04 — — CN disclosed
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