SCHEMBL10793932

SCHEMBL10793932

O=C(Cc1csc(-c2ccccc2)n1)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@@H]12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.56
▸ ALDH1A1 P00352 7/20 0.55
▸ TDP1 Q9NUW8 6/20 0.55
▸ KDM4E B2RXH2 5/20 0.55
▸ MAPT P10636 5/20 0.55
▸ HSD17B10 Q99714 4/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ HPGD P15428 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ NR1I2 O75469 2/20 0.55
▸ CTDSP1 Q9GZU7 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ ADORA3 P0DMS8 1/20 0.55
▸ SLC15A2 Q16348 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ POLB P06746 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ HTT P42858 1/20 0.53

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
SCHEMBL10793925 1.00 MAPK1 (0.56) MAPK1ALDH1A1TDP1KDM4EMAPT
SCHEMBL10756805 0.88 TDP1 (0.52) MAPK1ALDH1A1TDP1KDM4EMAPT
SCHEMBL10756810 0.88 TDP1 (0.52) MAPK1ALDH1A1TDP1KDM4EMAPT
SCHEMBL10794279 0.87 TDP1 (0.52) MAPK1ALDH1A1TDP1KDM4EMAPT
SCHEMBL10752876 0.86 TDP1 (0.57) MAPK1ALDH1A1TDP1KDM4EMAPT
SCHEMBL10756852 0.86 MAPK1 (0.53) MAPK1ALDH1A1TDP1KDM4EMAPT
SCHEMBL10756846 0.86 MAPK1 (0.53) MAPK1ALDH1A1TDP1KDM4EMAPT
SCHEMBL10752870 0.86 TDP1 (0.57) MAPK1ALDH1A1TDP1KDM4EMAPT
SCHEMBL10790206 0.85 TDP1 (0.51) MAPK1ALDH1A1TDP1KDM4EMAPT
SCHEMBL10790200 0.85 TDP1 (0.51) MAPK1ALDH1A1TDP1KDM4EMAPT

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-4683227-A CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1987-07-28 — — US disclosed
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