SCHEMBL31353063

SCHEMBL31353063

Nc1nc2cc(Cl)ccc2c2c1COC2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.48
BCHE P06276 5/20 0.48
EPHX2 P34913 2/20 0.48
CHRM1 P11229 1/20 0.48
NR4A2 P43354 2/20 0.45
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40
SOS2 Q07890 1/20 0.40
MPO P05164 1/20 0.39
KMT2A Q03164 1/20 0.39
PIK3CG P48736 1/20 0.38

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
SCHEMBL29650742 0.81 ACHE (0.47) ACHEBCHEGRIN1GRIN2AMPO
SCHEMBL30661688 0.76 DCPS (0.46) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL29138830 0.75 KDM4E (0.32)
SCHEMBL29236344 0.73 KDM4E (0.36)
SCHEMBL30283755 0.72 ACHE (0.45) ACHELMNACYP1A2
SCHEMBL24468604 0.71 KDM4E (0.35) ACHEMAPTPOLBKMT2A
SCHEMBL29650879 0.71 KDM4E (0.35) ACHEMAPTPOLBKMT2A
Hydrochloric Acid SCHEMBL26918508 0.70 ACHE (0.32) ACHE
SCHEMBL31253292 0.69 KDM4E (0.41) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL29138919 0.69 KDM4E (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119143752-A Aminoquinoline derivative, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-12-17 CN disclosed