SCHEMBL30103385

SCHEMBL30103385

c1nnnn1C1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.35
YTHDC1 Q96MU7 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
APEX1 P27695 1/20 0.32
PI4KA P42356 1/20 0.32
BLM P54132 1/20 0.32
ADCY1 Q08828 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL5860682 0.74 CD274 (0.33) CYP2C19YTHDC1ALDH1A1MEN1KMT2A
SCHEMBL1223653 0.71 IDO1 (0.38) ALDH1A1MEN1KMT2APOLB
SCHEMBL20590813 0.70 CYP2C19 (0.38) CYP2C19YTHDC1ALDH1A1MEN1KMT2A
SCHEMBL8388948 0.70 IDO1 (0.37) ALDH1A1MEN1KMT2ATP53POLB
SCHEMBL2145229 0.67 CYP2C19 (0.42) CYP2C19YTHDC1ALDH1A1MEN1KMT2A
SCHEMBL21621191 0.67 ALDH1A1 (0.37) CYP2C19YTHDC1ALDH1A1MEN1KMT2A
SCHEMBL12525140 0.67 ALDH1A1 (0.41) CYP2C19YTHDC1ALDH1A1MEN1KMT2A
SCHEMBL29517969 0.67 CYP2C19 (0.35) CYP2C19YTHDC1ALDH1A1MEN1KMT2A
SCHEMBL320082 0.67 CYP4F2 (0.35) CYP2C19YTHDC1ALDH1A1MEN1KMT2A
SCHEMBL11559542 0.67 CYP2C19 (0.30) CYP2C19

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-4097138-A1 ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS Avila Therapeutics, Inc. (US) 2022-12-07 EP disclosed