SCHEMBL24880383

SCHEMBL24880383

Brc1cn2c(n1)CCCC2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ LMNA P02545 4/20 0.47
▸ WDR5 P61964 8/20 0.44
▸ PDPK1 O15530 1/20 0.44
▸ NPC1 O15118 7/20 0.42
▸ RAB9A P51151 7/20 0.42
▸ HTT P42858 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ HPGD P15428 2/20 0.35
▸ GFER P55789 1/20 0.35
▸ HSD17B10 Q99714 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
SCHEMBL19991554 0.94 — —
SCHEMBL2716549 0.77 LMNA (0.49) ALDH1A1LMNAWDR5PDPK1NPC1
SCHEMBL3733065 0.75 LMNA (0.47) ALDH1A1LMNAWDR5PDPK1NPC1
SCHEMBL408221 0.75 LMNA (0.56) ALDH1A1LMNAWDR5PDPK1NPC1
SCHEMBL18850945 0.75 LMNA (0.47) ALDH1A1LMNAWDR5PDPK1NPC1
SCHEMBL24869886 0.73 LMNA (0.54) ALDH1A1LMNAWDR5PDPK1NPC1
SCHEMBL24879991 0.73 LMNA (0.54) ALDH1A1LMNAWDR5PDPK1NPC1
SCHEMBL5308466 0.73 ALDH1A1 (0.70) ALDH1A1LMNAWDR5NPC1RAB9A
SCHEMBL10064767 0.72 LMNA (0.53) ALDH1A1LMNAWDR5PDPK1NPC1
SCHEMBL16739774 0.72 ALDH1A1 (0.45) ALDH1A1LMNAWDR5PDPK1NPC1

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-115594680-A TEAD inhibitor 武汉人福创新药物研发中心有限公司(CN) 2023-01-13 — — CN disclosed
WO-2023280254-A1 TEAD INHIBITOR 武汉人福创新药物研发中心有限公司 2023-01-12 — — WO disclosed
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