SCHEMBL31550419

SCHEMBL31550419

CC1(N)CCN(c2nc(N)nc3c2nnn3Cc2ccccc2Cl)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ KDM4E B2RXH2 1/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ CNR2 P34972 18/20 0.59

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
SCHEMBL31550412 0.88 ALDH1A1 (0.58) LMNAALOX15KDM4EMEN1ALDH1A1
SCHEMBL31550410 0.85 HRH4 (0.52) LMNAALOX15KDM4EMEN1ALDH1A1
SCHEMBL31550418 0.82 ALDH1A1 (0.48) LMNAALOX15KDM4EMEN1ALDH1A1
SCHEMBL31550417 0.80 ALDH1A1 (0.44) LMNAALOX15KDM4EMEN1ALDH1A1
SCHEMBL31550408 0.80 ADORA2A (0.57) LMNAMEN1ALDH1A1HTTKMT2A
SCHEMBL31550409 0.80 CNR2 (0.47) LMNAMEN1ALDH1A1HTTKMT2A
SCHEMBL31550411 0.79 PDE8B (0.51) LMNAKDM4EMEN1ALDH1A1HTT
SCHEMBL31550414 0.78 ALDH1A1 (0.46) LMNAKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL14911354 0.77 CNR2 (0.77) CNR2
SCHEMBL14911363 0.76 CNR2 (0.79) LMNAALOX15KDM4EALDH1A1CNR2

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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