SCHEMBL30987402

SCHEMBL30987402

c1ccc2c(-n3nnc4ccccc43)cccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.60
ALDH1A1 P00352 5/20 0.53
LMNA P02545 4/20 0.53
TSHR P16473 3/20 0.53
KMT2A Q03164 3/20 0.53
HPGD P15428 2/20 0.53
TP53 P04637 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
HTT P42858 1/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 2/20 0.49
POLB P06746 2/20 0.47
KDM4E B2RXH2 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ESR1 P03372 1/20 0.43

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
SCHEMBL14421241 1.00 KCNMA1 (0.60) KCNMA1ALDH1A1LMNATSHRKMT2A
SCHEMBL21512532 0.84 KCNMA1 (0.50) KCNMA1ALDH1A1LMNATSHRKMT2A
SCHEMBL13338049 0.81 KCNMA1 (0.50) KCNMA1ALDH1A1LMNATSHRKMT2A
SCHEMBL25581089 0.80 SMN1; SMN2 (0.56) KCNMA1ALDH1A1LMNATSHRKMT2A
SCHEMBL23840194 0.79 KCNMA1 (0.64) KCNMA1ALDH1A1LMNATSHRKMT2A
SCHEMBL25862494 0.79 KCNMA1 (0.64) KCNMA1ALDH1A1LMNATSHRKMT2A
SCHEMBL19142983 0.79 SMN1; SMN2 (0.48) KCNMA1ALDH1A1LMNATSHRKMT2A
SCHEMBL21416845 0.77 KCNMA1 (0.57) KCNMA1ALDH1A1LMNATSHRKMT2A
SCHEMBL12859913 0.77 SMN1; SMN2 (0.57) KCNMA1ALDH1A1LMNATSHRKMT2A
SCHEMBL14146414 0.76 KCNMA1 (0.49) KCNMA1ALDH1A1LMNATSHRKMT2A

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-2024133292-A1 NOVEL CCR8 ANTAGONISTS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-27 WO disclosed