SCHEMBL31066451

SCHEMBL31066451

COC(=O)c1nn2c(c1I)CCCC2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CNR2 P34972 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ TSHR P16473 1/20 0.31

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
SCHEMBL31066375 0.83 ALDH1A1 (0.42) ALDH1A1MAPK1NPSR1MAPTKMT2A
SCHEMBL23414986 0.82 ALDH1A1 (0.48) ALDH1A1MAPK1NPSR1TP53MAPT
SCHEMBL29852457 0.78 ALDH1A1 (0.44) ALDH1A1MAPK1TP53MAPTTHRB
SCHEMBL31158416 0.77 MAPK1 (0.42) ALDH1A1MAPK1NPSR1TP53MAPT
SCHEMBL23961101 0.76 ALDH1A1 (0.41) ALDH1A1MAPK1NPSR1TP53MAPT
SCHEMBL31066448 0.75 OPRM1 (0.34) NPSR1
SCHEMBL31066442 0.74 DRD3 (0.34) NPSR1
SCHEMBL31158519 0.74 MAPK1 (0.39) ALDH1A1MAPK1NPSR1KMT2AHPGD
SCHEMBL31714739 0.73 ALDH1A1 (0.45) ALDH1A1MAPK1NPSR1MAPTKMT2A
SCHEMBL31066499 0.72 LMNA (0.43) ALDH1A1NPSR1TP53MAPTTHRB

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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