SCHEMBL26433912

SCHEMBL26433912

C[C@@H]1CCCN(C[C@@H](C)O)C1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.48
CYP2D6 P10635 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
CASP2 P42575 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 4/20 0.41
SLC6A9 P48067 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 2/20 0.38
AGTR1 P30556 1/20 0.38
MAPT P10636 1/20 0.38
TAAR1 Q96RJ0 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
SCHEMBL15042347 0.85 KDM4E (0.63) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL12000484 0.84 KDM4E (0.61) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL12449688 0.84 KDM4E (0.61) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL12384 0.84 KDM4E (0.61) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL28348326 0.83 KDM4E (0.75) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL24322681 0.80 KDM4E (1.00) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL28464068 0.80 KDM4E (0.71) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL5241782 0.80 KDM4E (1.00) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL5240816 0.80 KDM4E (1.00) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL5241963 0.80 KDM4E (1.00) KDM4EALDH1A1MEN1KMT2AMAPK1

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
WO-2023066377-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 索智生物科技(浙江)有限公司 2023-04-27 WO disclosed