SCHEMBL20843270

SCHEMBL20843270

CSc1ccc(CN2CCC(CO)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ ATM Q13315 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ SIGMAR1 Q99720 2/20 0.54
▸ GAA P10253 1/20 0.52
▸ HRH3 Q9Y5N1 2/20 0.52
▸ MAPK1 P28482 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ PKM P14618 1/20 0.50
▸ ACHE P22303 1/20 0.50
▸ ADRB2 P07550 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ NR2F2 P24468 1/20 0.49
▸ RAB9A P51151 1/20 0.49

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
SCHEMBL20843171 0.86 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EATMMEN1KMT2A
SCHEMBL12504038 0.82 HRH3 (0.56) SMN1; SMN2KDM4EATMMEN1KMT2A
SCHEMBL27883986 0.80 ACHE (0.55) SIGMAR1HRH3ACHE
SCHEMBL4592063 0.79 ALDH1A1 (0.54) KDM4ESIGMAR1HRH3ALDH1A1ACHE
SCHEMBL1505926 0.79 — —
SCHEMBL3667779 0.79 ALDH1A1 (0.58) SIGMAR1GAAHRH3LMNAALDH1A1
SCHEMBL349053 0.78 CCR3 (0.71) KDM4EATMSIGMAR1GAAALDH1A1
SCHEMBL20804048 0.78 HRH3 (0.59) SMN1; SMN2MEN1KMT2AHRH3LMNA
SCHEMBL12412713 0.78 HRH3 (0.52) MEN1KMT2ASIGMAR1HRH3ACHE
SCHEMBL621695 0.78 HRH3 (0.62) SMN1; SMN2MEN1KMT2ASIGMAR1HRH3

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-3250552-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2019-03-27 — — EP disclosed
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