SCHEMBL28306287

SCHEMBL28306287

CS(=O)(=O)c1nc(C2=CN(Cc3ccc(N=[N+]=[N-])cc3)CC=C2)cc(C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 15/20 0.43
▸ NPSR1 Q6W5P4 7/20 0.40
▸ HPGD P15428 6/20 0.40
▸ TP53 P04637 5/20 0.40
▸ HTT P42858 5/20 0.40
▸ LMNA P02545 5/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ STAT3 P40763 4/20 0.40
▸ HSD17B10 Q99714 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ STAT1 P42224 2/20 0.40
▸ TLR9 Q9NR96 2/20 0.40
▸ S1PR4 O95977 2/20 0.40
▸ S1PR1 P21453 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.40

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
SCHEMBL28307457 0.86 SDHB (0.56) SDHBNPSR1HPGDTP53HTT
SCHEMBL28307441 0.85 SDHB (0.56) SDHBNPSR1HPGDTP53HTT
SCHEMBL28307439 0.85 SDHB (0.59) SDHBNPSR1HPGDTP53HTT
SCHEMBL28306261 0.84 SDHB (0.58) SDHBNPSR1HPGDTP53HTT
SCHEMBL28306389 0.83 SDHB (0.49) SDHBNPSR1HPGDTP53HTT
SCHEMBL19805836 0.83 SDHB (0.59) SDHBNPSR1HPGDTP53HTT
SCHEMBL28875024 0.83 SDHB (0.59) SDHBNPSR1HPGDTP53HTT
SCHEMBL22912246 0.82 SDHB (0.43) SDHBNPSR1HPGDTP53HTT
SCHEMBL28306295 0.82 SDHB (0.47) SDHBNPSR1HPGDTP53HTT
SCHEMBL28307466 0.82 SDHB (0.43) SDHBNPSR1HPGDTP53HTT

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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