SCHEMBL845335

SCHEMBL845335

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.50
APOBEC3A P31941 2/20 0.49
APOBEC3G Q9HC16 2/20 0.49
LMNA P02545 4/20 0.48
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.45
ALOX12 P18054 1/20 0.45
ALOX15 P16050 1/20 0.44
PKM P14618 2/20 0.43
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PABPC1 P11940 1/20 0.42
EIF4H Q15056 1/20 0.42

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
SCHEMBL845181 0.89 MAPT (0.69) MAPTNPSR1POLBAPOBEC3AAPOBEC3G
SCHEMBL845438 0.81 RHOC (0.41) MAPTNPSR1POLBAPOBEC3AAPOBEC3G
SCHEMBL845729 0.79 MAPT (0.58) MAPTNPSR1POLBAPOBEC3AAPOBEC3G
SCHEMBL845568 0.74 RHOC (0.36) MAPTNPSR1POLBAPOBEC3AAPOBEC3G
SCHEMBL845592 0.74 KMT2A (0.64) MAPTNPSR1POLBAPOBEC3AAPOBEC3G
SCHEMBL845300 0.73 CYP2C9 (0.54) MAPTALDH1A1HTTPABPC1
SCHEMBL845229 0.73 RHOC (0.48) MAPTLMNAALDH1A1HTT
SCHEMBL873200 0.72 RHOC (0.48) MAPTALDH1A1HTTPABPC1
SCHEMBL845541 0.72 RHOC (0.49) MAPTNPSR1POLBAPOBEC3AAPOBEC3G
SCHEMBL845565 0.71 KMT2A (0.35) MAPTPOLBALDH1A1PKM

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