SCHEMBL31066499

SCHEMBL31066499

COC(=O)c1nn2c(c1-c1ccccc1Cl)CCCC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ THRB P10828 1/20 0.39
▸ TGFBR1 P36897 2/20 0.37
▸ NPC1 O15118 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ MAPT P10636 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KLF5 Q13887 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 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
SCHEMBL31066388 0.87 PDE3B (0.42) GAAMAPTMEN1KMT2ANPSR1
SCHEMBL31066340 0.85 CYP1A2 (0.40) LMNATSHRHTTTGFBR1NPC1
SCHEMBL31066452 0.84 NPC1 (0.40) LMNAGAATSHRHTTNPC1
SCHEMBL31066475 0.84 GAA (0.41) LMNAGAATSHRHTTNPC1
SCHEMBL31066470 0.81 LMNA (0.40) LMNAGAATSHRHTTNPC1
SCHEMBL31066286 0.81 GAA (0.40) LMNAGAATSHRHTTNPC1
SCHEMBL31066381 0.80 GAA (0.42) LMNAGAATSHRHTTNPC1
SCHEMBL31066524 0.80 GAA (0.40) LMNAGAATSHRHTTNPC1
SCHEMBL23414986 0.72 ALDH1A1 (0.48) LMNAGAATSHRHTTTHRB
SCHEMBL31066451 0.72 ALDH1A1 (0.39) LMNATSHRHTTTHRBNPC1

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-2024182447-A1 COMPOUNDS AND METHODS FOR MODULATING RAS-PI3K VIVIDION THERAPEUTICS, INC. (US) 2024-09-06 — — WO disclosed
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