SCHEMBL28307461

SCHEMBL28307461

COc1ccc(CN2C=C(c3cc(C(F)(F)F)nc([S+](C)[O-])n3)C=CC2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 6/20 0.39
▸ MAPT P10636 7/20 0.39
▸ TP53 P04637 4/20 0.39
▸ CYP1A2 P05177 4/20 0.38
▸ TSHR P16473 3/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HPGD P15428 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP2D6 P10635 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
SCHEMBL28875023 0.89 MAPT (0.39) SDHBMAPTTP53SMN1; SMN2HPGD
SCHEMBL28306340 0.86 TP53 (0.37) MAPTTP53TSHRSMN1; SMN2ALDH1A1
SCHEMBL22912252 0.85 ALDH1A1 (0.34) SDHBMAPTTP53TSHRSMN1; SMN2
SCHEMBL28307462 0.82 SDHB (0.59) SDHBMAPTTP53SMN1; SMN2HPGD
SCHEMBL30526106 0.82 SDHB (0.59) SDHBMAPTTP53SMN1; SMN2HPGD
SCHEMBL28306292 0.81 SDHB (0.41) SDHB
SCHEMBL28307452 0.79 SDHB (0.48) SDHBMAPTTP53CYP1A2TSHR
SCHEMBL28307448 0.77 KDM4E (0.42) SDHBMAPTTP53TSHRSMN1; SMN2
SCHEMBL28307434 0.77 SDHB (0.63) SDHBTP53CYP1A2CYP3A4CYP2C19
SCHEMBL28306444 0.77 SDHB (0.54) SDHBTP53CYP1A2TSHRCYP3A4

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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