SCHEMBL27299549

SCHEMBL27299549

Cc1ccc(OCc2nccn2C)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
MAPK1 P28482 3/20 0.51
TP53 P04637 2/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
MAPT P10636 5/20 0.43
L3MBTL1 Q9Y468 5/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 3/20 0.40
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL12409075 0.86 NPC1 (0.50) KMT2AMEN1MAPK1NPC1RAB9A
SCHEMBL4030728 0.84 KMT2A (0.44) KMT2AMEN1MAPK1TP53HTT
SCHEMBL27299192 0.82 KMT2A (0.45) KMT2AMEN1MAPK1TP53HTT
SCHEMBL14174985 0.75 KMT2A (0.68) KMT2AMEN1TP53NPC1RAB9A
SCHEMBL8308040 0.74 MEN1 (0.45) KMT2AMEN1HTTNPC1RAB9A
SCHEMBL15704234 0.73 MEN1 (0.53) KMT2AMEN1TP53HTTNPC1
SCHEMBL4856194 0.73 TSHR (0.51) KMT2AMEN1MAPK1HTTNPC1
SCHEMBL169716 0.73 MRGPRX4 (0.53) KMT2AMEN1MAPK1TP53HTT
SCHEMBL13929749 0.72 MRGPRX4 (0.58) KMT2AMEN1MAPK1NPC1RAB9A
SCHEMBL8308033 0.71 MEN1 (0.45) KMT2AMEN1NPC1RAB9AMAPT

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-2024026056-A2 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-02-01 WO disclosed