SCHEMBL29040359

SCHEMBL29040359

CCOc1ccc(C(N)=NO)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
PDE4A P27815 5/20 0.47
PDE4B Q07343 5/20 0.47
PDE4C Q08493 5/20 0.47
PDE4D Q08499 5/20 0.47
RAB9A P51151 3/20 0.46
GAA P10253 3/20 0.46
KDM1A O60341 3/20 0.46
NPSR1 Q6W5P4 1/20 0.45
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL20117012 1.00 RECQL (0.50) RECQLPDE4APDE4BPDE4CPDE4D
SCHEMBL3181108 0.85 MAPK1 (0.55) RECQLPDE4APDE4BPDE4CPDE4D
SCHEMBL3181095 0.85 MAPK1 (0.55) RECQLPDE4APDE4BPDE4CPDE4D
SCHEMBL17654454 0.84 GAA (0.62) RECQLRAB9AGAANPC1HSD17B10
SCHEMBL17654450 0.84 GAA (0.62) RECQLRAB9AGAANPC1HSD17B10
SCHEMBL20116518 0.84 MAPK1 (0.44) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL2326648 0.82 RECQL (0.68) RECQLPDE4APDE4BPDE4CPDE4D
SCHEMBL2326651 0.82 RECQL (0.68) RECQLPDE4APDE4BPDE4CPDE4D
SCHEMBL20116382 0.81 RECQL (0.50) RECQLRAB9AGAAMAPK1NPC1
SCHEMBL30506256 0.81 RECQL (0.50) RECQLRAB9AGAANPSR1MAPK1

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-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed