SCHEMBL31469535

SCHEMBL31469535

O=C(c1ccccc1)C(c1ccccc1)C(c1ccccc1)n1ncc(-c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ PTPN1 P18031 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RELA Q04206 1/20 0.35

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
SCHEMBL31469546 0.72 HPGD (0.47) L3MBTL1LMNAPTPN1ALDH1A1SMN1; SMN2
SCHEMBL31469550 0.69 HPGD (0.41) TDP1L3MBTL1LMNAALDH1A1SMN1; SMN2
SCHEMBL31469570 0.69 HPGD (0.41) TDP1L3MBTL1ALDH1A1SMN1; SMN2TSHR
SCHEMBL31469474 0.69 HPGD (0.44) TDP1L3MBTL1LMNAALDH1A1SMN1; SMN2
SCHEMBL31469542 0.69 HPGD (0.44) L3MBTL1LMNAPTPN1SMN1; SMN2TSHR
SCHEMBL31469522 0.69 KMT2A (0.32) L3MBTL1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL29719387 0.68 TDP1 (0.59) TDP1L3MBTL1LMNACES2CES1
SCHEMBL31469501 0.67 SRC (0.43) L3MBTL1LMNAALDH1A1SMN1; SMN2CYP2C19
SCHEMBL31469534 0.67 CYP2C9 (0.41) L3MBTL1CYP2C19HPGDKMT2AGRM5
SCHEMBL21555670 0.66 TDP1 (0.57) TDP1L3MBTL1LMNACES2CES1

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-119490463-A Beta-triazole derivative and synthetic method and application thereof 华东师范大学 2025-02-21 — — CN disclosed
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