SCHEMBL31661690

SCHEMBL31661690

CC[C@@H](C(=O)OCCOCCOCCOCCN)[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.65
BRD2 P25440 5/20 0.65
BRD3 Q15059 5/20 0.65
DNER Q8NFT8 2/20 0.57
ADORA3 P0DMS8 1/20 0.56
TSPO P30536 1/20 0.56
VHL P40337 2/20 0.55
BRDT Q58F21 3/20 0.54
CREBBP Q92793 2/20 0.54
HDAC3 O15379 1/20 0.54
JAK2 O60674 1/20 0.54
BRD1 O95696 1/20 0.54
CCL2 P13500 1/20 0.54
HDAC4 P56524 1/20 0.54
EP300 Q09472 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54

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
SCHEMBL31748236 0.90 BRD4 (0.72) BRD4BRD2BRD3DNERADORA3
SCHEMBL31748216 0.90 BRD4 (0.72) BRD4BRD2BRD3DNERADORA3
SCHEMBL31748250 0.89 BRD4 (0.71) BRD4BRD2BRD3DNERADORA3
SCHEMBL30623772 0.89 BRD4 (0.66) BRD4BRD2BRD3DNERADORA3
SCHEMBL31457363 0.88 BRD4 (0.65) BRD4BRD2BRD3DNERADORA3
SCHEMBL30320700 0.87 BRD4 (0.67) BRD4BRD2BRD3DNERADORA3
SCHEMBL31661725 0.87 BRD4 (0.73) BRD4BRD2BRD3DNERADORA3
SCHEMBL31748259 0.85 BRD4 (0.66) BRD4BRD2BRD3ADORA3TSPO
SCHEMBL31748276 0.85 BRD4 (0.66) BRD4BRD2BRD3ADORA3TSPO
SCHEMBL2534380 0.85 BRD4 (0.68) BRD4BRD2BRD3DNERADORA3

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-2025149756-A1 PROXIMITY - INDUCING COMPOUNDS UNIVERSITY OF DUNDEE (GB) 2025-07-17 WO disclosed