SCHEMBL1426626

SCHEMBL1426626

O=c1[nH]c(=O)c2ncn(-n3cnc4cncnc43)c2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ PNP P00491 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HBB P68871 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ USP2 O75604 1/20 0.30

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
SCHEMBL2352519 0.81 PNP (0.43) PNPALDH1A1LMNACYP1A2CYP2C19
SCHEMBL523465 0.77 XDH (0.47) PNPALDH1A1LMNACYP3A4TSHR
SCHEMBL27773184 0.77 ADORA2A (0.43) —
SCHEMBL4456036 0.76 FDPS (0.34) FDPSMKNK2ALDH1A1LMNACYP1A2
SCHEMBL2120550 0.75 FDPS (0.45) FDPSMKNK2ALDH1A1LMNACYP1A2
SCHEMBL28340215 0.74 FDPS (0.44) FDPSMKNK2ALDH1A1LMNACYP1A2
SCHEMBL6839512 0.73 CYP3A4 (0.34) FDPSMKNK2ALDH1A1LMNACYP1A2
SCHEMBL2200951 0.73 PNP (0.36) PNP
SCHEMBL72147 0.72 XDH (0.50) PNPALDH1A1LMNACYP3A4TSHR
SCHEMBL8159669 0.69 TDP1 (0.39) PNPALDH1A1CYP1A2CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110974842-B Methods of identifying compounds for treating cancer 卡洛斯三世癌症研究中心全国基金会 2023-09-19 — — CN disclosed
CN-115337311-A A composition for treating respiratory system diseases and its preparation method 南京恒道医药科技股份有限公司 2022-11-15 — — CN disclosed
CN-113916948-A Based on nanometer CeO2Electrochemical sensor for detecting xanthine and preparation method and application thereof 哈尔滨商业大学 2022-01-11 — — CN disclosed
CN-112638475-A MicroRNA targeting agents for the treatment of cardiac diseases 英国研究与创新基金会 2021-04-09 — — CN disclosed
CN-110974842-A Methods of identifying compounds for treating cancer 卡洛斯三世癌症研究中心全国基金会 2020-04-10 — — CN disclosed
CN-104857016-B Methods of identifying compounds for treating cancer 卡洛斯三世癌症研究中心全国基金会 2019-12-24 — — CN disclosed
WO-2019155969-A1 NUCLEOSIDASE AGENT HAVING REDUCED CONTAMINANT ACTIVITY 天野エンザイム株式会社 2019-08-15 — — WO disclosed
WO-2012150866-A1 PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND USES THEREOF INDUSTRIAL RESEARCH LIMITED (NZ) 2012-11-08 — — WO disclosed
EP-0823252-B2 Hair conditioning solid VEDA CORP A (US) 2011-03-23 — — EP disclosed
US-7794936-B1 Using thymidine analogs to improve replication in an expanded genetic alphabet BENNER STEVEN ALBERT 2010-09-14 — — US disclosed
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