SCHEMBL30750744

SCHEMBL30750744

CC(C)(C)OC(=O)N1CCC(OCCCCOCCCN(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.49
▸ JAK1 P23458 1/20 0.49
▸ STS P08842 1/20 0.47
▸ GPR119 Q8TDV5 5/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ PRMT5 O14744 1/20 0.44
▸ WDR77 Q9BQA1 1/20 0.44
▸ PTPRB P23467 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41

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
SCHEMBL30750572 0.98 JAK2 (0.49) JAK2JAK1STSGPR119KDM4E
SCHEMBL27379853 0.97 JAK2 (0.52) JAK2JAK1STSGPR119KDM4E
SCHEMBL27380148 0.96 JAK2 (0.51) JAK2JAK1STSGPR119KDM4E
SCHEMBL30750672 0.95 JAK2 (0.48) JAK2JAK1STSGPR119KDM4E
SCHEMBL30750662 0.95 JAK2 (0.50) JAK2JAK1STSGPR119KDM4E
SCHEMBL20133355 0.86 STS (0.51) JAK2JAK1STSGPR119KDM4E
SCHEMBL30750608 0.85 STS (0.50) JAK2JAK1STSGPR119KDM4E
SCHEMBL13096781 0.85 STS (0.52) JAK2JAK1STSGPR119KDM4E
SCHEMBL30812219 0.83 JAK2 (0.55) JAK2JAK1STSGPR119KDM4E
SCHEMBL31303428 0.83 STS (0.52) JAK2JAK1STSGPR119KDM4E

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-2024054954-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 — — WO disclosed
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