SCHEMBL19806077

SCHEMBL19806077

CSc1nc(-c2ccn(Cc3cccc(Cl)c3)c2)cc(C(F)(F)F)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 9/20 0.50
▸ PLA2G1B P04054 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ATG4B Q9Y4P1 1/20 0.42
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ KDM4E B2RXH2 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
SCHEMBL19805806 0.89 SDHB (0.47) SDHBPLA2G1BMAPTATG4BLMNA
SCHEMBL29976331 0.86 SDHB (0.51) SDHBMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL20985643 0.86 SDHB (0.51) SDHBMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL19805838 0.83 SDHB (0.72) SDHB
SCHEMBL22912257 0.82 SDHB (0.49) SDHBMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL19805863 0.82 SDHB (0.49) SDHBCYP11B1CYP11B2LMNAALDH1A1
SCHEMBL29976766 0.82 SDHB (0.49) SDHBCYP11B1CYP11B2LMNAALDH1A1
SCHEMBL19805868 0.82 SDHB (0.73) SDHBLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL19805897 0.73 SDHB (0.70) SDHB
SCHEMBL19805753 0.71 SDHB (0.47) SDHBMAPTALDH1A1SMN1; SMN2MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 — — EP disclosed
WO-2018014802-A1 APOPTOSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-01-25 — — WO disclosed
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