SCHEMBL25629403

SCHEMBL25629403

CN1CC2(CCN(c3ncnc4ccc(CC(F)(F)F)cc34)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.46
▸ MEN1 O00255 12/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ CYP1A2 P05177 5/20 0.44
▸ CYP3A4 P08684 5/20 0.44
▸ USP2 O75604 4/20 0.44
▸ HIF1A Q16665 4/20 0.44
▸ CYP2D6 P10635 3/20 0.44
▸ TSHR P16473 3/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ HRH4 Q9H3N8 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CLK4 Q9HAZ1 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL25722603 0.92 HTT (0.49) HTTMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL25716737 0.91 HTT (0.46) HTTMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL19032225 0.88 MEN1 (0.46) HTTMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL30406095 0.86 HTT (0.44) HTTMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL19032270 0.86 HTT (0.44) HTTMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL25281209 0.85 MEN1 (0.44) MEN1KMT2ACYP3A4HPGD
SCHEMBL25633236 0.85 HTT (0.52) HTTMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL30405901 0.85 HTT (0.48) HTTMEN1ALDH1A1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL25270533 0.85 HTT (0.43) HTTMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL25220725 0.85 HTT (0.48) HTTMEN1ALDH1A1KMT2ACYP1A2

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-2023107687-A1 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. (US) 2023-06-15 — — WO disclosed
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