SCHEMBL30405814

SCHEMBL30405814

C=Cc1cc2c(N3CC4(CCN(C(=O)OCCCC)CC4)C3)ncnc2cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.38
▸ GPR119 Q8TDV5 2/20 0.37
▸ PDGFRB P09619 4/20 0.36
▸ ENPP2 Q13822 3/20 0.36
▸ ATXN2 Q99700 3/20 0.36
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GALR2 O43603 1/20 0.35
▸ EGFR P00533 2/20 0.35
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KRAS P01116 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ BACE1 P56817 1/20 0.34

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
SCHEMBL31578988 0.84 KIT (0.42) GPR119
SCHEMBL25240539 0.83 PDGFRB (0.39) PDGFRBALDH1A1HPGDKRASACHE
SCHEMBL30405747 0.82 HTT (0.48) HTTPDGFRBENPP2ATXN2MAPT
SCHEMBL30406045 0.81 MAPK7 (0.44) ENPP2ATXN2MTNR1B
SCHEMBL30405246 0.79 OPRD1 (0.38) HTTGPR119ENPP2ATXN2MAPT
SCHEMBL30405798 0.78 OPRD1 (0.43) PDGFRBENPP2ATXN2MTNR1BOPRD1
SCHEMBL30405888 0.78 PDGFRB (0.41) PDGFRBENPP2ATXN2SMN1; SMN2MTNR1B
SCHEMBL30405875 0.77 PDGFRB (0.39) HTTPDGFRBENPP2ATXN2MAPT
SCHEMBL30406184 0.77 OPRD1 (0.38) HTTGPR119ENPP2ATXN2MAPT
SCHEMBL31578997 0.77 KIT (0.42) GPR119PDGFRBACHEBACE1

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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