SCHEMBL31550412

SCHEMBL31550412

CC1(N)CCN(c2nc(N)nc3c2nnn3Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.58
▸ LMNA P02545 5/20 0.55
▸ NPSR1 Q6W5P4 4/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ TSHR P16473 3/20 0.52
▸ GAA P10253 4/20 0.51
▸ PKM P14618 1/20 0.51
▸ HPGD P15428 3/20 0.50
▸ RECQL P46063 1/20 0.50
▸ MAPK1 P28482 3/20 0.49
▸ ADORA3 P0DMS8 2/20 0.49
▸ ADORA2A P29274 2/20 0.49
▸ ADORA2B P29275 1/20 0.49
▸ ADORA1 P30542 1/20 0.49
▸ HRH4 Q9H3N8 1/20 0.48
▸ HTT P42858 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47

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
SCHEMBL31550418 0.90 ALDH1A1 (0.48) ALDH1A1LMNANPSR1SMN1; SMN2TSHR
SCHEMBL31550410 0.90 HRH4 (0.52) ALDH1A1LMNANPSR1SMN1; SMN2TSHR
SCHEMBL31550414 0.88 ALDH1A1 (0.46) ALDH1A1LMNANPSR1SMN1; SMN2TSHR
SCHEMBL31550419 0.88 LMNA (0.62) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL31550409 0.88 CNR2 (0.47) ALDH1A1LMNANPSR1SMN1; SMN2TSHR
SCHEMBL31550411 0.87 PDE8B (0.51) ALDH1A1LMNANPSR1SMN1; SMN2TSHR
SCHEMBL31550417 0.86 ALDH1A1 (0.44) ALDH1A1LMNANPSR1SMN1; SMN2TSHR
SCHEMBL31550408 0.83 ADORA2A (0.57) ALDH1A1LMNANPSR1SMN1; SMN2GAA
SCHEMBL13244902 0.75 ADORA2A (0.60) ALDH1A1LMNANPSR1SMN1; SMN2HPGD
SCHEMBL3393873 0.73 ADORA2A (0.62) ALDH1A1LMNAHPGDADORA3ADORA2A

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
CN-119912457-A Pyrimidine triazole compound as well as preparation method and application thereof 郑州大学 2025-05-02 — — CN disclosed
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