SCHEMBL22755239

SCHEMBL22755239

Cc1c[nH]c(=O)c2c(C(=O)Nc3cccc(OCc4ccccc4)c3)c[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ NR1H4 Q96RI1 5/20 0.49
▸ LRRK2 Q5S007 2/20 0.48
▸ PDK1 Q15118 1/20 0.47
▸ PDK2 Q15119 1/20 0.47
▸ PDK3 Q15120 1/20 0.47
▸ PDK4 Q16654 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CTSV O60911 1/20 0.45
▸ CTSL P07711 1/20 0.45
▸ SGMS2 Q8NHU3 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ F10 P00742 1/20 0.44

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
SCHEMBL22755172 0.89 GPR55 (0.56) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL22755207 0.82 HPGD (0.51) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL11779160 0.79 KMT2A (0.63) MEN1KMT2ANR1H4LRRK2PDK1
SCHEMBL20704909 0.76 CFTR (0.65) NR1H4ALDH1A1SMN1; SMN2
SCHEMBL22647160 0.76 MEN1 (0.55) MEN1KMT2ANR1H4LRRK2PDK1
SCHEMBL22754848 0.74 KDM4E (0.55) MEN1KMT2ARAB9AALDH1A1
SCHEMBL5249717 0.73 NR1H4 (0.65) MEN1KMT2ANR1H4PDK1PDK2
SCHEMBL22755205 0.73 NPC1 (0.46) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL11550139 0.73 NR1H4 (0.81) MEN1KMT2ANR1H4NPC1RAB9A
SCHEMBL22755173 0.72 GPR55 (0.53) MEN1KMT2ANPC1RAB9AALDH1A1

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
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 — — EP disclosed
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