Pyridine

Pyridine

SCHEMBL28306262

C[S+]([O-])c1nc(-c2cccn2Cc2ccc(OC(F)(F)F)cc2)cc(C(F)(F)F)n1.c1ccncc1

nearest known ligand 0.34

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ SDHB P21912 2/20 0.33
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ MET P08581 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL29975709 0.79 SDHB (0.45) SDHBALDH1A1KDM4EKMT2ATDP1
SCHEMBL19805638 0.79 SDHB (0.45) SDHBALDH1A1KDM4EKMT2ATDP1
SCHEMBL19805761 0.76 SDHB (0.58) SDHB
SCHEMBL22912252 0.71 ALDH1A1 (0.34) SDHBALDH1A1LMNATSHRMAPT
Pyridine SCHEMBL28306282 0.70 SDHB (0.59) SDHBALDH1A1KDM4EKMT2ALMNA
Pyridine SCHEMBL28875022 0.68 SDHB (0.50) SDHBALDH1A1KDM4EKMT2ALMNA
Pyridine SCHEMBL28307467 0.68 SDHB (0.62) SDHBALDH1A1KDM4EKMT2ALMNA
SCHEMBL29976174 0.67 SDHB (0.48) SDHBALDH1A1KDM4EKMT2ATDP1
SCHEMBL19805642 0.67 SDHB (0.48) SDHBALDH1A1KDM4EKMT2ATDP1
SCHEMBL19805871 0.67 SDHB (0.69) SDHBMAPT

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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