SCHEMBL31587136

SCHEMBL31587136

C=C(C(N)=O)c1cc2c(cn1)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
TSHR P16473 1/20 0.41
CHEK1 O14757 1/20 0.36
CHEK2 O96017 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.35
SYK P43405 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
BACE1 P56817 2/20 0.34
BACE2 Q9Y5Z0 2/20 0.34
CTNNB1 P35222 2/20 0.33
NTRK1 P04629 1/20 0.33
ADRA2A P08913 1/20 0.33

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
SCHEMBL5299145 0.84 TSHR (0.49) CHRNA7TSHRCHEK1CHEK2NPC1
SCHEMBL1712176 0.79 CHRNA7 (0.45) CHRNA7TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL103632 0.77 CHRNA7 (0.47) CHRNA7TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL29747107 0.74 CHEK2 (0.42) CHRNA7TSHRCHEK2NPC1RAB9A
SCHEMBL5917985 0.73 KDM4E (0.51) CHRNA7NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18443469 0.70 BACE1 (0.39) CHRNA7TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL20270971 0.70 BACE1 (0.39) CHRNA7TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL5265516 0.70 GABRA1 (0.48) TSHRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2507415 0.69 CHRNA7 (0.41) CHRNA7TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL6389963 0.68 ALDH1A1 (0.47) CHRNA7NPC1RAB9ASMN1; SMN2MAPT

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
WO-2025106949-A1 WRN INHIBITORS RADD PHARMACEUTICALS, INC. (US) 2025-05-22 WO disclosed