SCHEMBL845181

SCHEMBL845181

O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)cc2)cc1)[C@@H]1CCCN1C(=O)c1cccs1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.69
POLB P06746 1/20 0.61
NPSR1 Q6W5P4 1/20 0.60
APOBEC3A P31941 2/20 0.60
APOBEC3G Q9HC16 2/20 0.60
LMNA P02545 4/20 0.58
HPGD P15428 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 3/20 0.54
HTT P42858 2/20 0.54
ALOX12 P18054 1/20 0.54
ALOX15 P16050 1/20 0.53
PABPC1 P11940 1/20 0.51
EIF4H Q15056 1/20 0.51
ABL1 P00519 1/20 0.51
RIN1 Q13671 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL845729 0.89 MAPT (0.58) MAPTPOLBNPSR1APOBEC3AAPOBEC3G
SCHEMBL845335 0.89 MAPT (0.57) MAPTPOLBNPSR1APOBEC3AAPOBEC3G
SCHEMBL845300 0.82 CYP2C9 (0.54) MAPTALDH1A1HTTPABPC1
SCHEMBL845592 0.81 KMT2A (0.64) MAPTPOLBNPSR1APOBEC3AAPOBEC3G
SCHEMBL873200 0.81 RHOC (0.48) MAPTALDH1A1HTTPABPC1
SCHEMBL845541 0.81 RHOC (0.49) MAPTPOLBNPSR1APOBEC3AAPOBEC3G
SCHEMBL844934 0.81 RHOC (0.51) MAPTALDH1A1HTTTSHR
SCHEMBL845008 0.80 ALDH1A1 (0.54) MAPTPOLBNPSR1LMNAALDH1A1
SCHEMBL13272192 0.79 MAPK1 (0.52) MAPTPOLBNPSR1APOBEC3AAPOBEC3G
SCHEMBL845304 0.79 MAPK1 (0.52) MAPTPOLBNPSR1SMN1; SMN2ALDH1A1

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
US-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed