SCHEMBL27773145

SCHEMBL27773145

Cc1cc(N[SH](=O)=O)cc(N2CCN(C)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ LDLR P01130 1/20 0.38
▸ PCSK9 Q8NBP7 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ APP P05067 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA2C P18825 3/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ADRA2A P08913 2/20 0.35
▸ PHGDH O43175 1/20 0.35
▸ ADRA2B P18089 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
SCHEMBL27522705 0.78 ADRA2C (0.54) HTR1AADRA2CHTR1DHTR1BHTR2A
SCHEMBL12359403 0.77 MAPT (0.54) NPC1RAB9ALMNAHTR1AADRA2C
SCHEMBL14922328 0.77 ALDH1A1 (0.52) NPC1RAB9AADRA2CALDH1A1KDM4E
SCHEMBL27941708 0.73 RAPGEF4 (0.41) LMNAALDH1A1
SCHEMBL12659839 0.73 BCL2A1 (0.49) NPC1RAB9ALMNAHTR1AADRA2C
SCHEMBL31527732 0.71 RAPGEF4 (0.39) LMNAALDH1A1
SCHEMBL8263604 0.69 FFAR4 (0.45) NPC1RAB9ALMNAADRA2CALDH1A1
SCHEMBL5172916 0.69 MAPT (0.46) NPC1RAB9ALMNAAPPALDH1A1
SCHEMBL18278152 0.69 ADRA2C (0.59) NPC1RAB9ALMNAHTR1AADRA2C
SCHEMBL18294443 0.69 ADRA2C (0.42) NPC1RAB9ALMNAAPPHTR1A

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-101668749-A Novel pyrimidine derivatives 698 ASTRAZENECA AB 2010-03-10 — — CN disclosed
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