SCHEMBL7789529

SCHEMBL7789529

COc1ccc(CS(=O)(=O)NC(Cc2ccccc2)C2CC(Cc3ccccc3)=NO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CNR1 P21554 1/20 0.39
MMP9 P14780 3/20 0.39
MMP2 P08253 3/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
MMP1 P03956 3/20 0.38
MMP13 P45452 2/20 0.38
KCNA5 P22460 1/20 0.38
KCNH2 Q12809 1/20 0.38
LTA4H P09960 1/20 0.38
MAPK1 P28482 1/20 0.38
PTK2B Q14289 1/20 0.38
HTT P42858 1/20 0.37
MMP3 P08254 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37

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
SCHEMBL7800178 0.91 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMMP9MMP2
SCHEMBL7800100 0.89 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2CNR1
SCHEMBL7797834 0.88 MMP2 (0.49) ALDH1A1MMP9MMP2MMP1MMP13
SCHEMBL7796459 0.85 SORT1 (0.35) ALDH1A1MEN1KMT2AMMP9MMP2
SCHEMBL7799006 0.83 LTA4H (0.42) MEN1KMT2ALTA4HHTTLMNA
SCHEMBL7799004 0.83 FPR2 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2LTA4H
SCHEMBL7789584 0.82 PSEN1 (0.34) ALDH1A1ITGB3ITGA2B
SCHEMBL7797907 0.81 SORT1 (0.35) ALDH1A1MMP9MMP2LMNA
SCHEMBL7796565 0.81 ATM (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2ITGB3
SCHEMBL7800186 0.80 MMP2 (0.41) ALDH1A1SMN1; SMN2MMP9MMP2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748801-B1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEM (JP) 2001-12-19 EP disclosed
US-6018069-A 2-isoxazoline derivative and process for producing the same and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-01-25 US disclosed
US-5994558-A 2-isoxazoline derivative and process for producing the same; and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 US disclosed
US-5962692-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5750717-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-12 US disclosed
EP-0748801-A1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-18 EP disclosed