SCHEMBL28799491

SCHEMBL28799491

O=CNC1CC(O)CN1C(=O)c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ DAO P14920 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ EIF4H Q15056 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL27896399 0.80 TSHR (0.42) HSD17B10LMNAALOX15TSHRSMN1; SMN2
SCHEMBL27896515 0.79 HSD17B10 (0.50) HSD17B10LMNAALOX15TSHRSMN1; SMN2
SCHEMBL28054810 0.79 PIK3CD (0.55) —
SCHEMBL3891473 0.70 HSD17B10 (0.75) HSD17B10LMNAALOX15TSHRSMN1; SMN2
SCHEMBL11378388 0.66 HSD17B10 (0.54) HSD17B10LMNAALOX15TSHRSMN1; SMN2
SCHEMBL28799525 0.65 OPRK1 (0.35) POLB
SCHEMBL27896445 0.65 ATM (0.30) —
SCHEMBL27888737 0.65 SMN1; SMN2 (0.66) HSD17B10LMNAALOX15TSHRSMN1; SMN2
SCHEMBL9001940 0.64 GAA (0.70) HSD17B10TSHRSMN1; SMN2GAAALDH1A1
SCHEMBL27879619 0.64 TSHR (0.44) TSHRSMN1; SMN2GAAALDH1A1MAPT

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
CN-102791693-B Hepatitis c virus inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2016-04-13 — — CN claimed
CN-102791693-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-11-21 — — CN claimed
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