SCHEMBL28306419

SCHEMBL28306419

COc1ccc(CN2C=C(c3cc(C(F)(F)F)nc(S(=O)(=O)CCC(OCc4ccccc4)c4ccccc4)n3)C=CC2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 9/20 0.46
▸ NPSR1 Q6W5P4 6/20 0.41
▸ LMNA P02545 5/20 0.41
▸ HPGD P15428 5/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ TP53 P04637 7/20 0.39
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 8/20 0.38
▸ HTT P42858 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RCE1 Q9Y256 1/20 0.38
▸ STAT3 P40763 3/20 0.38
▸ STAT1 P42224 2/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ XBP1 P17861 1/20 0.38

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
SCHEMBL28306356 0.90 SDHB (0.35) SDHBNPSR1LMNAHPGDKMT2A
SCHEMBL28910510 0.87 TP53 (0.39) SDHBLMNAHPGDKMT2ATP53
SCHEMBL28306298 0.83 SDHB (0.50) SDHBNPSR1LMNAHPGDKMT2A
SCHEMBL28307434 0.83 SDHB (0.63) SDHBNPSR1LMNAHPGDKMT2A
SCHEMBL28306444 0.82 SDHB (0.54) SDHBNPSR1LMNAHPGDKMT2A
SCHEMBL28306456 0.82 SDHB (0.64) SDHBNPSR1LMNAHPGDKMT2A
SCHEMBL30526106 0.82 SDHB (0.59) SDHBNPSR1LMNAHPGDKMT2A
SCHEMBL28307462 0.82 SDHB (0.59) SDHBNPSR1LMNAHPGDKMT2A
SCHEMBL20985722 0.80 SDHB (0.73) SDHB
SCHEMBL28307452 0.79 SDHB (0.48) SDHBNPSR1LMNAHPGDKMT2A

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
CN-110023292-A Apoptosis inhibitor 北京生命科学研究所 2019-07-16 — — CN disclosed
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