SCHEMBL31069575

SCHEMBL31069575

Nc1ccccc1NC1CCCC1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.96
GAA P10253 4/20 0.96
MAPT P10636 3/20 0.96
HDAC1 Q13547 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC2 Q92769 1/20 0.50
IDO1 P14902 1/20 0.47
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
AOC1 P19801 2/20 0.40

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
SCHEMBL2933468 1.00 KDM4E (0.96) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL541824 0.98 KDM4E (1.00) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL29922301 0.98 KDM4E (1.00) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL5450859 0.98 KDM4E (1.00) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL17874938 0.98 KDM4E (1.00) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL23016005 0.98 KDM4E (1.00) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL20333672 0.96 KDM4E (0.89) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL720368 0.91 MAPT (0.81) KDM4EGAAMAPTHDAC1HDAC3
SCHEMBL30657522 0.91 MAPT (0.81) KDM4EGAAMAPTHDAC1HDAC3
Hydrochloric Acid SCHEMBL28010549 0.89 MAPT (0.78) KDM4EGAAMAPTHDAC1HDAC3

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-118580225-A PRMT5-MTA synergistic inhibitor and application thereof 甘李药业股份有限公司 2024-09-03 CN disclosed