SCHEMBL29847223

SCHEMBL29847223

O=C(NCC1=NOCC1)c1cccc(-c2ccccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 4/20 0.49
▸ WDR77 Q9BQA1 4/20 0.49
▸ SCN9A Q15858 2/20 0.47
▸ KAT6A Q92794 2/20 0.46
▸ HPGDS O60760 5/20 0.44
▸ KLKB1 P03952 1/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SCN5A Q14524 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL29846775 0.78 RAB9A (0.54) RAB9ANPC1LMNACYP3A4KMT2A
SCHEMBL29846405 0.77 POLB (0.57) RAB9ALMNAPOLBCYP1A2CYP3A4
SCHEMBL29846396 0.77 P2RY12 (0.48) KAT6A
SCHEMBL13886161 0.75 CDK8 (0.56) PRMT5WDR77SCN9AKAT6AHPGDS
SCHEMBL28087757 0.73 KAT6A (0.59) PRMT5WDR77SCN9AKAT6ASCN5A
SCHEMBL13537054 0.73 L3MBTL1 (0.58) PRMT5WDR77KAT6ARAB9ANPC1
SCHEMBL29846999 0.72 NPC1 (0.48) RAB9ANPC1KMT2A
SCHEMBL25399804 0.72 HPGDS (0.41) PRMT5WDR77KAT6AHPGDSKLKB1
SCHEMBL29846900 0.72 HCAR2 (0.39) HPGDSHDAC1KMT2A
SCHEMBL29847154 0.71 ADORA2A (0.39) RAB9AMAPK1KMT2A

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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