SCHEMBL2711073

SCHEMBL2711073

CNCc1nc(C(F)(F)F)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.41
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ FFAR2 O15552 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ IDH1 O75874 1/20 0.31
▸ EGLN2 Q96KS0 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.31
▸ EGLN3 Q9H6Z9 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ MEF2D Q14814 1/20 0.31
▸ MAPT P10636 2/20 0.30

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
SCHEMBL13104068 0.79 LMNA (0.38) LMNAMEN1KMT2AKDM4EFFAR2
SCHEMBL23547606 0.78 NPSR1 (0.44) LMNAMEN1KMT2AKDM4EHSD17B10
SCHEMBL16716199 0.76 LMNA (0.36) LMNAMEN1KMT2AIDH1EGLN2
SCHEMBL13021191 0.76 LMNA (0.39) LMNAMEN1KMT2AKDM4EHSD17B10
SCHEMBL24754681 0.75 PTGES (0.47) HTTFFAR2HPGD
SCHEMBL2305852 0.75 IDH1 (0.36) LMNAMEN1KMT2AIDH1EGLN2
SCHEMBL20534645 0.75 LMNA (0.35) LMNAMEN1KMT2AFFAR2IDH1
SCHEMBL20907801 0.75 LOXL2 (0.36) LMNAMEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL485332 0.75 SCN9A (0.37) LMNAMEN1KMT2AKDM4EFFAR2
SCHEMBL6497565 0.74 ALDH1A1 (0.40) LMNAMEN1KMT2AKDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 — — WO disclosed
WO-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 — — WO disclosed
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