SCHEMBL25627535

SCHEMBL25627535

CN1CCC2(CC1)CN(c1ncnc3ncccc13)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 5/20 0.45
▸ ALDH1A1 P00352 5/20 0.38
▸ HPGD P15428 4/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ USP2 O75604 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ HTR3E A5X5Y0 1/20 0.38
▸ HTR3B O95264 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ HTR3D Q70Z44 1/20 0.38
▸ HTR3C Q8WXA8 1/20 0.38
▸ TSHR P16473 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
SCHEMBL25630826 0.84 JAK3 (0.37) ALDH1A1HPGDCYP3A4HSD17B10USP2
SCHEMBL30456080 0.83 ALDH1A1 (0.54) ALDH1A1HPGDCYP3A4HSD17B10USP2
SCHEMBL25269396 0.83 ALDH1A1 (0.54) ALDH1A1HPGDCYP3A4HSD17B10USP2
SCHEMBL31027412 0.83 ALDH1A1 (0.45) ALDH1A1HPGDCYP3A4HSD17B10USP2
SCHEMBL25275190 0.83 ALDH1A1 (0.45) ALDH1A1HPGDCYP3A4HSD17B10USP2
SCHEMBL25725472 0.81 HRH4 (0.69) HRH4ALDH1A1HPGDCYP3A4HSD17B10
SCHEMBL30456119 0.79 KIT (0.49) ALDH1A1HPGDCYP3A4HSD17B10USP2
SCHEMBL30406110 0.76 HSD17B10 (0.44) ALDH1A1HPGDCYP3A4HSD17B10USP2
SCHEMBL25725483 0.75 HRH4 (0.34) HRH4MEN1LMNAKMT2ATSHR
SCHEMBL30455652 0.74 JAK2 (0.41) ALDH1A1HPGDCYP3A4HSD17B10USP2

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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