SCHEMBL30404904

SCHEMBL30404904

O=Cc1cc2c(N3CC4(CCNCC4)C3)ncnc2cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.39
▸ HSD17B10 Q99714 6/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ HPGD P15428 4/20 0.37
▸ CYP1A2 P05177 12/20 0.35
▸ CYP3A4 P08684 11/20 0.35
▸ CLK4 Q9HAZ1 8/20 0.35
▸ CYP2C19 P33261 6/20 0.35
▸ USP2 O75604 5/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ LMNA P02545 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TSHR P16473 2/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ ENPP1 P22413 1/20 0.32
▸ PDGFRB P09619 1/20 0.32

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
SCHEMBL25231502 0.78 MEN1 (0.37) HTTHSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL31578997 0.77 KIT (0.42) PDGFRB
SCHEMBL25277572 0.75 HTT (0.44) HTTHSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL31501706 0.73 HTT (0.43) HTTHSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL25240539 0.73 PDGFRB (0.39) HSD17B10ALDH1A1HPGDCYP3A4MEN1
SCHEMBL25222339 0.72 HTT (0.44) HTTHSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL30455740 0.72 HTT (0.44) HTTHSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL25275560 0.72 PIM1 (0.48) HTTHSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL25273633 0.71 ALDH1A1 (0.51) HTTHSD17B10ALDH1A1HPGDCYP1A2
Hydrochloric Acid SCHEMBL25278259 0.71 HTT (0.43) HTTHSD17B10ALDH1A1HPGDCYP1A2

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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