SCHEMBL29957438

SCHEMBL29957438

CC(C)(C)n1nc(-c2ccccc2)c(C=O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.42
ABL1 P00519 2/20 0.42
VCP P55072 5/20 0.39
PSMC4 P43686 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
PTGS2 P35354 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GSR P00390 1/20 0.35
DAPK3 O43293 1/20 0.35
RIPK2 O43353 1/20 0.35
EGFR P00533 1/20 0.35
CYP1A2 P05177 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 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
SCHEMBL15331156 0.88 RIPK2 (0.46) SRCABL1SMN1; SMN2PTGS2HPGD
SCHEMBL15332148 0.87 RIPK2 (0.43) SRCABL1SMN1; SMN2PTGS2HPGD
SCHEMBL15331643 0.86 CYP1A2 (0.39) SRCABL1PTGS2RIPK2CYP1A2
SCHEMBL2557902 0.85 ALDH1A1 (0.44) SRCABL1SMN1; SMN2PTGS2LMNA
SCHEMBL15333135 0.85 PTGS2 (0.40) SRCABL1SMN1; SMN2PTGS2HPGD
SCHEMBL15331376 0.85 ALDH1A1 (0.36) SRCABL1SMN1; SMN2HPGDLMNA
SCHEMBL15332052 0.85 RIPK2 (0.51) SRCABL1SMN1; SMN2PTGS2LMNA
SCHEMBL15331969 0.84 SMN1; SMN2 (0.45) SRCABL1SMN1; SMN2PTGS2LMNA
SCHEMBL15331051 0.84 TYR (0.38) SRCABL1SMN1; SMN2PTGS2HPGD
SCHEMBL15332491 0.84 RIPK2 (0.37) SRCABL1PTGS2ALDH1A1RIPK2

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed