SCHEMBL31756946

SCHEMBL31756946

Nc1ccc2c3ccc(N)cc3c3[nH]c(-c4ccccc4O)nc3c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.68
GAA P10253 2/20 0.68
ALDH1A1 P00352 2/20 0.68
MEN1 O00255 1/20 0.68
NPC1 O15118 1/20 0.68
GLA P06280 1/20 0.68
POLB P06746 1/20 0.68
MAPT P10636 1/20 0.68
IDO1 P14902 1/20 0.68
RECQL P46063 1/20 0.68
TDO2 P48775 1/20 0.68
RAB9A P51151 1/20 0.68
KMT2A Q03164 1/20 0.68
ATM Q13315 1/20 0.68
PTGES O14684 4/20 0.46
MGAM O43451 2/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
NOX1 Q9Y5S8 1/20 0.43
HPGD P15428 3/20 0.42

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
SCHEMBL13872535 0.84 GAA (0.68) KDM4EGAAALDH1A1MEN1NPC1
SCHEMBL30516133 0.81 KDM4E (1.00) KDM4EGAAALDH1A1MEN1NPC1
SCHEMBL20211621 0.81 KDM4E (1.00) KDM4EGAAALDH1A1MEN1NPC1
SCHEMBL28862669 0.80 NPC1 (0.51) KDM4EGAAALDH1A1MEN1NPC1
SCHEMBL17366640 0.78 FGFR1 (0.52) KDM4EGAAALDH1A1MEN1NPC1
SCHEMBL29008954 0.78 NOX1 (0.45) KDM4EGAAALDH1A1MEN1NPC1
SCHEMBL13647611 0.78 KDM4E (0.59) KDM4EGAAALDH1A1MEN1NPC1
SCHEMBL30474649 0.77 GAA (0.48) KDM4EGAAALDH1A1MEN1NPC1
SCHEMBL29033216 0.77 GAA (0.48) KDM4EGAAALDH1A1MEN1NPC1
SCHEMBL28702798 0.77 MEN1 (0.49) KDM4EGAAALDH1A1MEN1NPC1

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-121270837-A Heteroatom-rich metal covalent organic framework material for electrocatalytic hydrogen production and preparation method and application thereof 齐齐哈尔大学 2026-01-06 CN disclosed