SCHEMBL30406110

SCHEMBL30406110

CCCCOC(=O)N1CCC2(CC1)CN(c1ncnc3ncccc13)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 11/20 0.44
▸ ALDH1A1 P00352 9/20 0.44
▸ CYP3A4 P08684 7/20 0.44
▸ CYP2D6 P10635 6/20 0.44
▸ OPRD1 P41143 2/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ HPGD P15428 9/20 0.41
▸ CYP1A2 P05177 4/20 0.41
▸ USP2 O75604 3/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ TSHR P16473 6/20 0.40
▸ HIF1A Q16665 3/20 0.40
▸ CYP2C19 P33261 4/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ LMNA P02545 1/20 0.37
▸ JAK3 P52333 1/20 0.37

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
SCHEMBL30456119 0.82 KIT (0.49) HSD17B10ALDH1A1CYP3A4CYP2D6HPGD
SCHEMBL25275190 0.81 ALDH1A1 (0.45) HSD17B10ALDH1A1CYP3A4CYP2D6HPGD
SCHEMBL31027412 0.81 ALDH1A1 (0.45) HSD17B10ALDH1A1CYP3A4CYP2D6HPGD
SCHEMBL30405747 0.80 HTT (0.48) HSD17B10ALDH1A1OPRD1OPRK1HPGD
SCHEMBL30405196 0.78 PDGFRB (0.41) ALDH1A1CYP3A4CYP2D6OPRD1OPRK1
SCHEMBL30405798 0.78 OPRD1 (0.43) HSD17B10ALDH1A1CYP3A4CYP2D6OPRD1
SCHEMBL30405888 0.77 PDGFRB (0.41) ALDH1A1CYP3A4CYP2D6OPRD1OPRK1
SCHEMBL30406045 0.77 MAPK7 (0.44) —
SCHEMBL30406358 0.75 MAPT (0.35) HSD17B10ALDH1A1CYP3A4CYP2D6OPRD1
SCHEMBL30406184 0.75 OPRD1 (0.38) HSD17B10ALDH1A1CYP3A4CYP2D6OPRD1

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
EP-4444300-A2 INHIBITORS OF MENIN-MLL INTERACTION Bala Therapeutics, Inc. (US) 2024-10-16 — — EP disclosed
WO-2023107696-A2 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. (US) 2023-06-15 — — WO disclosed
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