SCHEMBL28855613

SCHEMBL28855613

NC(=O)OC1CCN(c2ncnc3c(Br)csc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ ALDH1A1 P00352 4/20 0.43
▸ NPC1 O15118 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ SIRT2 Q8IXJ6 6/20 0.39
▸ SIRT1 Q96EB6 6/20 0.39
▸ SIRT3 Q9NTG7 6/20 0.39
▸ HPGD P15428 1/20 0.38
▸ NOD2 Q9HC29 1/20 0.36
▸ EIF2AK2 P19525 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
SCHEMBL28855777 0.87 MAPT (0.48) RAB9AMAPTALDH1A1NPC1PKM
SCHEMBL31336843 0.80 NPC1 (0.49) RAB9AMAPTALDH1A1NPC1PKM
SCHEMBL23580027 0.80 NPC1 (0.49) RAB9AMAPTALDH1A1NPC1PKM
SCHEMBL28855745 0.79 HTR2C (0.55) RAB9ANPC1LMNASIRT2SIRT1
SCHEMBL30034195 0.74 CNR1 (0.47) RAB9AMAPTALDH1A1NPC1PKM
SCHEMBL23579593 0.74 CNR1 (0.47) RAB9AMAPTALDH1A1NPC1PKM
SCHEMBL29230284 0.73 STAT3 (0.61) RAB9AMAPTNPC1PKMLMNA
SCHEMBL2476480 0.72 PKM (0.55) RAB9AMAPTALDH1A1NPC1PKM
SCHEMBL29230268 0.70 LMNA (0.59) LMNA
SCHEMBL29036011 0.69 AKT2 (0.64) —

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-115151550-A Ectonucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) modulators and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2022-10-04 — — CN disclosed
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