SCHEMBL30207752

SCHEMBL30207752

CC(C)(C)C(=O)Nc1cc(CCO)c(CCO)cn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.49
CNR1 P21554 3/20 0.42
GCK P35557 3/20 0.41
ABL1 P00519 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KDR P35968 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ADORA1 P30542 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PAX8 Q06710 1/20 0.35
KLF5 Q13887 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL15879718 0.90 CNR2 (0.45) CNR2CNR1GCKABL1NPC1
SCHEMBL2730896 0.87 CNR2 (0.49) CNR2CNR1GCKABL1NPC1
SCHEMBL2733632 0.82 CNR2 (0.42) CNR2CNR1GCKABL1NPC1
SCHEMBL16862385 0.80 CNR2 (0.41) CNR2CNR1GCKABL1NPC1
SCHEMBL15879367 0.78 CNR2 (0.44) CNR2CNR1ABL1NPC1RAB9A
SCHEMBL16862693 0.77 CNR2 (0.39) CNR2CNR1GCKABL1NPC1
SCHEMBL8329180 0.77 CNR2 (0.53) CNR2CNR1ABL1NPC1RAB9A
SCHEMBL16862259 0.74 CNR2 (0.37) CNR2ABL1NPC1RAB9AKDR
SCHEMBL8325829 0.73 CNR2 (0.47) CNR2CNR1GCKABL1NPC1
SCHEMBL29840601 0.71 KDR (0.53) CNR2ABL1NPC1RAB9AKDR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115611925-B HPK1 inhibitors and uses thereof 轩竹生物科技股份有限公司 2025-04-08 CN disclosed
CN-115611925-A HPK1 inhibitors and uses thereof 轩竹生物科技股份有限公司 2023-01-17 CN disclosed