SCHEMBL29098331

SCHEMBL29098331

NC(CSc1ncnc2nc[nH]c12)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.65
TSHR P16473 3/20 0.59
NPC1 O15118 2/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
RAB9A P51151 2/20 0.56
CYP1A2 P05177 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CDC7 O00311 5/20 0.53
DBF4 Q9UBU7 5/20 0.53
GAA P10253 1/20 0.51
PAK1 Q13153 1/20 0.50
G6PD P11413 1/20 0.50
CTNNB1 P35222 1/20 0.49
TP53 P04637 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL9173815 1.00 HIF1A (0.65) HIF1ATSHRNPC1LMNAHTT
SCHEMBL9176248 0.87 TSHR (0.56) HIF1ATSHRNPC1LMNAHTT
SCHEMBL30999504 0.87 TSHR (0.56) HIF1ATSHRNPC1LMNAHTT
SCHEMBL9176257 0.87 TSHR (0.56) HIF1ATSHRNPC1LMNAHTT
SCHEMBL12113260 0.87 G6PD (0.55) HIF1ATSHRNPC1LMNAHTT
SCHEMBL9254901 0.86 HIF1A (0.61) HIF1ATSHRNPC1LMNAHTT
SCHEMBL9177455 0.85 HIF1A (0.57) HIF1ATSHRNPC1LMNAHTT
SCHEMBL9177431 0.85 TP53 (0.67) HIF1ATSHRNPC1LMNAHTT
SCHEMBL9281954 0.82 HIF1A (0.56) HIF1ATSHRNPC1LMNAHTT
SCHEMBL3396404 0.80 TSHR (0.78) HIF1ATSHRNPC1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116964196-A Recombinant oncolytic virus and medical application thereof 深圳艾欣达伟医药科技有限公司 2023-10-27 CN disclosed
WO-2022206962-A1 RECOMBINANT ONCOLYTIC VIRUS AND MEDICAL USE THEREOF 深圳艾欣达伟医药科技有限公司 2022-10-06 WO disclosed