SCHEMBL27005477

SCHEMBL27005477

CCOC(=O)c1ccc(-c2ccc(OC)c(F)c2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.58
PRKCZ Q05513 1/20 0.56
HSD17B2 P37059 5/20 0.54
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HSD17B1 P14061 4/20 0.48
MAPT P10636 6/20 0.46
GAA P10253 2/20 0.46
CTSC P53634 1/20 0.44
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
STK17B O94768 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
STS P08842 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL22643041 0.86 ERN1 (0.54) ERN1HSD17B2HDAC3HDAC4HDAC1
SCHEMBL2715947 0.80 KDM4E (0.59) ERN1PRKCZHSD17B2HDAC3HDAC4
SCHEMBL27005478 0.80 PRKCZ (0.53) ERN1PRKCZMAPTGAAKDM4E
SCHEMBL6361017 0.79 KDM4E (0.61) ERN1HSD17B2HDAC3HDAC4HDAC1
SCHEMBL18832307 0.77 HDAC6 (0.64) ERN1HSD17B2HDAC6HSD17B1MAPT
SCHEMBL12582258 0.77 ERN1 (0.54) ERN1HSD17B2HDAC3HDAC4HDAC1
SCHEMBL18832290 0.76 PRF1 (0.54) ERN1HDAC3HDAC4HDAC1HDAC6
SCHEMBL1784438 0.76 ERN1 (0.56) ERN1HSD17B2HDAC3HDAC4HDAC1
SCHEMBL12994882 0.75 HSD17B1 (0.56) ERN1HSD17B2HDAC3HDAC4HDAC1
SCHEMBL27761019 0.74 GAA (0.53) ERN1HSD17B2HDAC3HDAC4HDAC1

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-4306520-A1 THIOPHENE COMPOUND AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2024-01-17 EP disclosed