SCHEMBL27896515

SCHEMBL27896515

O=CNC1CCCN1C(=O)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ POLB P06746 1/20 0.48
▸ APOBEC3A P31941 2/20 0.47
▸ APOBEC3G Q9HC16 2/20 0.47
▸ TSHR P16473 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ RAB9A P51151 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL27896416 0.80 MEN1 (0.46) HSD17B10POLBALDH1A1MAPTSMN1; SMN2
SCHEMBL27879607 0.79 ADAM17 (0.41) POLBALDH1A1RAB9AMAPTNPC1
SCHEMBL27896381 0.78 ACHE (0.38) HSD17B10GAAPOLBTSHRALDH1A1
SCHEMBL28159525 0.76 GAA (0.57) HSD17B10GAAPOLBAPOBEC3AAPOBEC3G
SCHEMBL13753536 0.76 TSHR (0.68) HSD17B10GAAPOLBAPOBEC3AAPOBEC3G
SCHEMBL28846715 0.76 GAA (0.57) HSD17B10GAAPOLBAPOBEC3AAPOBEC3G
SCHEMBL27879665 0.75 CHRNA7 (0.51) POLBALDH1A1LMNARAB9ANPC1
SCHEMBL27896385 0.75 TSHR (0.48) TSHRALDH1A1LMNAKMT2AMEN1
SCHEMBL6290035 0.74 ALDH1A1 (0.60) HSD17B10GAAPOLBAPOBEC3AAPOBEC3G
SCHEMBL6290034 0.74 ALDH1A1 (0.60) HSD17B10GAAPOLBAPOBEC3AAPOBEC3G

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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