SCHEMBL28874909

SCHEMBL28874909

COc1ccc(CN2C=C(c3cc(C(F)(F)F)nc(S(C)(=O)=O)n3)C=CC2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 7/20 0.50
▸ HPGD P15428 6/20 0.50
▸ TP53 P04637 5/20 0.50
▸ KDM4E B2RXH2 5/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ USP2 O75604 1/20 0.50
▸ SDHB P21912 14/20 0.48
▸ HTT P42858 5/20 0.42
▸ LMNA P02545 5/20 0.42
▸ STAT3 P40763 4/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ MITF O75030 2/20 0.42
▸ RAB9A P51151 4/20 0.39
▸ STAT1 P42224 2/20 0.39
▸ TLR9 Q9NR96 2/20 0.39
▸ S1PR4 O95977 2/20 0.39
▸ S1PR1 P21453 2/20 0.39
▸ MAPK1 P28482 2/20 0.39

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
SCHEMBL28306261 0.89 SDHB (0.58) NPSR1HPGDTP53KDM4ESMN1; SMN2
SCHEMBL28307432 0.87 SDHB (0.58) NPSR1HPGDTP53KDM4ESMN1; SMN2
SCHEMBL28306448 0.84 SDHB (0.60) NPSR1HPGDTP53KDM4ESMN1; SMN2
SCHEMBL28306389 0.82 SDHB (0.49) NPSR1HPGDTP53KDM4ESMN1; SMN2
SCHEMBL28307457 0.82 SDHB (0.56) NPSR1HPGDTP53KDM4ESMN1; SMN2
SCHEMBL28307441 0.81 SDHB (0.56) NPSR1HPGDTP53KDM4ESMN1; SMN2
SCHEMBL30526106 0.80 SDHB (0.59) NPSR1HPGDTP53KDM4ESMN1; SMN2
SCHEMBL28307462 0.80 SDHB (0.59) NPSR1HPGDTP53KDM4ESMN1; SMN2
SCHEMBL22912246 0.80 SDHB (0.43) NPSR1HPGDTP53KDM4ESMN1; SMN2
SCHEMBL28875024 0.79 SDHB (0.59) NPSR1HPGDTP53KDM4ESMN1; SMN2

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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