SCHEMBL28307434

SCHEMBL28307434

CCCCCS(=O)(=O)c1nc(C2=CN(Cc3ccc(OC)c(OC)c3)CC=C2)cc(C(F)(F)F)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 9/20 0.63
▸ SMN1; SMN2 Q16637 8/20 0.45
▸ TP53 P04637 7/20 0.45
▸ NPSR1 Q6W5P4 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ LMNA P02545 5/20 0.44
▸ HPGD P15428 4/20 0.44
▸ POLB P06746 1/20 0.42
▸ HTT P42858 5/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ RCE1 Q9Y256 1/20 0.42
▸ STAT3 P40763 4/20 0.42
▸ STAT1 P42224 3/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ MDM2 Q00987 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ ADRB2 P07550 1/20 0.41

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
SCHEMBL28306456 0.99 SDHB (0.64) SDHBSMN1; SMN2TP53NPSR1KMT2A
SCHEMBL28306444 0.93 SDHB (0.54) SDHBSMN1; SMN2TP53NPSR1KMT2A
SCHEMBL28307462 0.88 SDHB (0.59) SDHBSMN1; SMN2TP53NPSR1KMT2A
SCHEMBL30526106 0.88 SDHB (0.59) SDHBSMN1; SMN2TP53NPSR1KMT2A
SCHEMBL28306279 0.86 SDHB (0.68) SDHBSMN1; SMN2TP53NPSR1KMT2A
SCHEMBL28306299 0.85 SMN1; SMN2 (0.64) SDHBSMN1; SMN2TP53NPSR1KMT2A
SCHEMBL28307452 0.85 SDHB (0.48) SDHBSMN1; SMN2TP53NPSR1KMT2A
SCHEMBL28306298 0.84 SDHB (0.50) SDHBSMN1; SMN2TP53NPSR1KMT2A
SCHEMBL28307442 0.84 SDHB (0.62) SDHBSMN1; SMN2TP53NPSR1KMT2A
SCHEMBL28306419 0.83 SDHB (0.46) SDHBSMN1; SMN2TP53NPSR1KMT2A

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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