SCHEMBL29846349

SCHEMBL29846349

O=C(NCC1=NOC(Cc2ccccc2)C1)c1cccc2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CXCR5 P32302 1/20 0.43
▸ CTSL P07711 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PSMB5 P28074 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ CARM1 Q86X55 1/20 0.39

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
SCHEMBL29846951 0.81 CHRNB2 (0.57) KMT2ALMNA
SCHEMBL8591624 0.77 KMT2A (0.60) CXCR5HPGDKMT2ALMNAALDH1A1
SCHEMBL29846797 0.77 HDAC3 (0.41) LMNA
SCHEMBL25400299 0.77 NR1D1 (0.48) CXCR5CTSLHPGDKMT2ALMNA
SCHEMBL29846655 0.77 PRMT5 (0.42) HPGDALDH1A1PSMB5
SCHEMBL29846802 0.76 TAS1R3 (0.43) KMT2A
SCHEMBL29846366 0.76 ROCK2 (0.50) LMNANPC1RAB9A
SCHEMBL29846519 0.76 CXCR5 (0.44) CXCR5CTSLHPGDKMT2AALDH1A1
SCHEMBL29847152 0.76 EPHX2 (0.51) —
SCHEMBL29846668 0.76 KLKB1 (0.42) CTSLALDH1A1NPC1RAB9ASMN1; SMN2

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-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 — — WO disclosed
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