SCHEMBL29846418

SCHEMBL29846418

Cn1nccc1C(=O)NCC1=NOCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ RAB9A P51151 4/20 0.46
▸ LMNA P02545 3/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ TAS1R2 Q8TE23 1/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ PRMT5 O14744 1/20 0.43
▸ WDR77 Q9BQA1 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NAMPT P43490 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
SCHEMBL29846880 0.76 SMN1; SMN2 (0.54) L3MBTL1RAB9ALMNANPC1TP53
SCHEMBL29846708 0.74 CCR1 (0.41) —
SCHEMBL3410537 0.74 KMT2A (0.69) KMT2AL3MBTL1RAB9ALMNATAS1R3
SCHEMBL29846685 0.73 KDM4E (0.51) KMT2ALMNAPKMALDH1A1TSHR
SCHEMBL29846900 0.72 HCAR2 (0.39) KMT2AL3MBTL1TSHRHSD17B10
SCHEMBL29847154 0.72 ADORA2A (0.39) KMT2ARAB9A
SCHEMBL12424226 0.71 KMT2A (0.65) KMT2AL3MBTL1RAB9ALMNATAS1R3
SCHEMBL31505932 0.71 KMT2A (0.65) KMT2AL3MBTL1RAB9ALMNATAS1R3
SCHEMBL21904034 0.71 L3MBTL1 (0.65) KMT2AL3MBTL1RAB9ALMNATAS1R3
SCHEMBL15950981 0.71 KMT2A (0.60) KMT2AL3MBTL1RAB9ALMNATAS1R3

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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