SCHEMBL31746582

SCHEMBL31746582

CC(C)(C)OC(=O)NCCCCCCCCn1ncc2cc(C(N)=O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 9/20 0.55
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ BRD4 O60885 7/20 0.51
▸ CNR2 P34972 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42

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
SCHEMBL31746641 0.91 BRD4 (0.52) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31746501 0.90 BRD4 (0.51) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL18918040 0.86 BRD4 (0.50) STING1BRD4CNR2MAOAMAOB
SCHEMBL24376372 0.82 BRD4 (0.48) STING1BRD4CNR2MAOAMAOB
SCHEMBL18926990 0.82 BRD4 (0.48) STING1BRD4CNR2
SCHEMBL26910983 0.81 BRD4 (0.47) STING1BRD4CNR2MAOAMAOB
SCHEMBL31169512 0.79 BRD4 (0.54) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31173818 0.79 BRD4 (0.54) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31294757 0.78 GLS (0.55) STING1BRD4CNR2
SCHEMBL19448947 0.78 STING1 (0.66) STING1CYP3A4CYP2D6CYP2C9CYP2C19

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
WO-2025262295-A1 PROTAC DEGRADERS OF MLLT1 AND/OR MLLT3 DARK BLUE THERAPEUTICS LTD (GB) 2025-12-26 — — WO disclosed
EP-4667466-A1 PROTAC DEGRADERS OF MLLT1 AND/OR MLLT3 Dark Blue Therapeutics Ltd (GB) 2025-12-24 — — EP disclosed
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