SCHEMBL25949404

SCHEMBL25949404

CCOC(=O)c1c(CNC=N)n(C)c2cc(-c3ccccc3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 3/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALOX5 P09917 3/20 0.44
PKM P14618 1/20 0.44
SPR P35270 1/20 0.43
PIM1 P11309 1/20 0.43
IRAK1 P51617 1/20 0.43
CAMK2B Q13554 1/20 0.43
CAMK2G Q13555 1/20 0.43
CAMK2D Q13557 1/20 0.43
PIM3 Q86V86 1/20 0.43
RAD52 P43351 1/20 0.42
PTGES O14684 1/20 0.40
TSHR P16473 1/20 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
SCHEMBL25948837 0.91 PKM (0.42) KDM4EALDH1A1GAALMNAHPGD
SCHEMBL25949213 0.88 ALOX5 (0.41) KDM4EALDH1A1GAALMNAHPGD
SCHEMBL25948583 0.88 ALOX5 (0.41) KDM4EALDH1A1GAALMNAHPGD
SCHEMBL25949367 0.86 KDM4E (0.53) KDM4EALDH1A1GAALMNAHPGD
SCHEMBL25949271 0.86 PKM (0.46) KDM4EALDH1A1GAALMNAHPGD
SCHEMBL25948618 0.85 ALOX5 (0.42) KDM4EALDH1A1MEN1KMT2AALOX5
SCHEMBL25938616 0.85 KDM4E (0.44) KDM4EALDH1A1GAALMNAHPGD
SCHEMBL25948723 0.84 PKM (0.42) KDM4EALDH1A1GAALMNAHPGD
SCHEMBL25948646 0.84 ALOX5 (0.44) KDM4EALDH1A1GAALMNAHPGD
SCHEMBL25949074 0.83 ALOX5 (0.46) KDM4EALDH1A1GAALMNAHPGD

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
EP-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 EP disclosed