SCHEMBL9299568

SCHEMBL9299568

CO[C@@H](CNS(=O)(=O)c1ccc(Cn2c(C)nc3ccccc32)cc1)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.54
ALDH1A1 P00352 1/20 0.49
GALR3 O60755 2/20 0.48
NR2F2 P24468 2/20 0.48
RAB9A P51151 1/20 0.48
PTAFR P25105 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
RORC P51449 1/20 0.44
TBXAS1 P24557 1/20 0.43
EDNRA P25101 1/20 0.43
GNRHR P30968 2/20 0.42
CYP2C9 P11712 1/20 0.42
PPARG P37231 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
SCHEMBL9298879 0.84 TNF (0.57) TNFALDH1A1GALR3NR2F2RAB9A
SCHEMBL9298869 0.82 TNF (0.61) TNFALDH1A1GALR3NR2F2RAB9A
SCHEMBL9546914 0.81 PTAFR (0.57) TNFPTAFRCYP2C19POLBTHRB
SCHEMBL9299460 0.81 TNF (0.54) TNFALDH1A1GALR3NR2F2RAB9A
SCHEMBL8134171 0.80 TNF (0.53) TNFALDH1A1GALR3NR2F2RAB9A
SCHEMBL9300153 0.79 TNF (0.57) TNFALDH1A1GALR3NR2F2RAB9A
SCHEMBL8129105 0.79 HDAC1 (0.56) TNFALDH1A1GALR3NR2F2RAB9A
SCHEMBL8137536 0.79 TNF (0.59) TNFALDH1A1GALR3NR2F2RAB9A
SCHEMBL8129724 0.78 MMP2 (0.57) TNFALDH1A1GALR3NR2F2RAB9A
SCHEMBL9299036 0.78 TNF (0.55) TNFALDH1A1GALR3NR2F2RAB9A

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
US-5276153-A Antagonist of platelet activating factor for bronchodilation BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-01-04 US disclosed