SCHEMBL26285347

SCHEMBL26285347

Cc1cc(C)c(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(C(=O)O)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.57
▸ CYCS P99999 4/20 0.56
▸ STAT3 P40763 1/20 0.54
▸ STAT1 P42224 1/20 0.54
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ GAA P10253 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ GLA P06280 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ MAP2K4 P45985 1/20 0.37
▸ MAPKAPK3 Q16644 1/20 0.37
▸ MAPK6 Q16659 1/20 0.37
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ ENPP2 Q13822 1/20 0.36
▸ CSNK1D P48730 1/20 0.36

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
SCHEMBL22332272 0.90 TOP1 (0.70) TOP1CYCSSTAT3STAT1ABCG2
SCHEMBL13411108 0.89 ABCG2 (0.49) TOP1CYCSSTAT3STAT1ABCG2
SCHEMBL11339474 0.88 TOP1 (0.75) TOP1CYCSSTAT3STAT1ABCG2
SCHEMBL140681 0.88 TOP1 (0.67) TOP1CYCSSTAT3STAT1ABCG2
SCHEMBL14706938 0.87 ABCG2 (0.53) TOP1CYCSSTAT3STAT1ABCG2
SCHEMBL2787415 0.87 STAT3 (0.51) TOP1CYCSSTAT3STAT1ABCG2
SCHEMBL11334086 0.87 TOP1 (0.65) TOP1CYCSSTAT3STAT1ABCG2
SCHEMBL28919688 0.87 TOP1 (0.65) TOP1CYCSSTAT3STAT1ABCG2
SCHEMBL14706940 0.86 ABCG2 (0.51) TOP1CYCSSTAT3STAT1ABCG2
SCHEMBL93007 0.85 STAT3 (0.56) TOP1CYCSSTAT3STAT1ABCG2

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
WO-2022216927-A9 PORPHYRIN-HYDROPORPHYRIN COMPOUNDS, COMPOSITIONS COMPRISING THE SAME AND METHODS OF USE THEREOF NORTH CAROLINA STATE UNIVERSITY (US) 2023-09-14 — — WO disclosed
Send feedback