SCHEMBL10791941

SCHEMBL10791941

Cc1nc(CC(=S)N[C@@H]2C(=O)N3C(C(=O)OCc4ccc([N+](=O)[O-])cc4)=C(Cl)CS[C@H]23)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SPOP O43791 1/20 0.37
▸ TDP1 Q9NUW8 4/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MAPT P10636 4/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ POLB P06746 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PKM P14618 1/20 0.35

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
SCHEMBL10791948 1.00 PLCG1 (0.57) PLCG1ALDH1A1L3MBTL1SPOPTDP1
SCHEMBL11673833 0.82 PLCG1 (0.65) PLCG1ALDH1A1L3MBTL1SPOPTDP1
SCHEMBL11673831 0.82 PLCG1 (0.65) PLCG1ALDH1A1L3MBTL1SPOPTDP1
SCHEMBL10755756 0.81 ALDH1A1 (0.48) ALDH1A1SPOPTDP1MAPK1MAPT
SCHEMBL11512916 0.79 PLCG1 (0.81) PLCG1ALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL8664798 0.79 PLCG1 (0.81) PLCG1ALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL8664795 0.79 PLCG1 (0.81) PLCG1ALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL10790176 0.79 PLCG1 (0.66) PLCG1ALDH1A1L3MBTL1SPOPTDP1
SCHEMBL10790178 0.79 PLCG1 (0.66) PLCG1ALDH1A1L3MBTL1SPOPTDP1
SCHEMBL11330160 0.79 PLCG1 (0.61) PLCG1ALDH1A1L3MBTL1SPOPTDP1

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
Send feedback