SCHEMBL29976331

SCHEMBL29976331

COc1cccc(Cn2ccc(-c3cc(C(F)(F)F)nc(SC)n3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 3/20 0.51
▸ ALDH1A1 P00352 6/20 0.45
▸ HPGD P15428 5/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ CYP1A2 P05177 3/20 0.45
▸ CYP3A4 P08684 3/20 0.45
▸ CYP2C9 P11712 3/20 0.45
▸ CYP2C19 P33261 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ MAPT P10636 6/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ GPR55 Q9Y2T6 1/20 0.44
▸ HSD17B10 Q99714 4/20 0.43
▸ POLB P06746 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL20985643 1.00 SDHB (0.51) SDHBALDH1A1HPGDKDM4EKMT2A
SCHEMBL22912257 0.89 SDHB (0.49) SDHBALDH1A1HPGDKDM4EKMT2A
SCHEMBL19806077 0.86 SDHB (0.50) SDHBALDH1A1HPGDKDM4EKMT2A
SCHEMBL19805963 0.84 SDHB (0.73) SDHBALDH1A1HPGDKDM4EKMT2A
SCHEMBL29976692 0.83 SDHB (0.50) SDHBALDH1A1HPGDKDM4EKMT2A
SCHEMBL19805660 0.83 SDHB (0.50) SDHBALDH1A1HPGDKDM4EKMT2A
SCHEMBL19805657 0.83 SDHB (0.74) SDHBALDH1A1HPGDKDM4EKMT2A
SCHEMBL19805806 0.81 SDHB (0.47) SDHBALDH1A1HPGDKDM4EKMT2A
SCHEMBL22912204 0.75 SDHB (0.74) SDHB
SCHEMBL19806061 0.74 SDHB (0.74) SDHBALDH1A1HPGDKDM4EKMT2A

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-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 — — CN disclosed
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