SCHEMBL30876261

SCHEMBL30876261

CCCC[Sn](CCCC)(CCCC)c1cn2c(n1)CCC2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
WDR5 P61964 9/20 0.39
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 7/20 0.37
RAB9A P51151 7/20 0.37
LMNA P02545 4/20 0.37
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.35
GFER P55789 1/20 0.34
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL30928762 0.78 NPC1 (0.33) TP53NPC1RAB9ATSHR
SCHEMBL4431855 0.72 WDR5 (0.44) TP53HPGDHSD17B10WDR5ALDH1A1
SCHEMBL25060996 0.69 WDR5 (0.44) TP53HPGDHSD17B10WDR5ALDH1A1
SCHEMBL13455831 0.68 WDR5 (0.46) TP53HPGDHSD17B10WDR5ALDH1A1
SCHEMBL8883226 0.68 LMNA (0.46) TP53HPGDHSD17B10WDR5ALDH1A1
SCHEMBL29206946 0.67
SCHEMBL6078366 0.67
SCHEMBL31555683 0.66 ALDH1A1 (0.33) ALDH1A1KMT2A
SCHEMBL7916624 0.65
SCHEMBL31015487 0.64 PDE10A (0.36) HPGDHSD17B10ALDH1A1LMNASMN1; SMN2

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
CN-118005606-A TEAD inhibitors 武汉人福创新药物研发中心有限公司 2024-05-10 CN disclosed