SCHEMBL9521705

SCHEMBL9521705

O=C(NS(=O)(=O)c1ccccc1)Oc1cccc2nnsc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.41
PTGS1 P23219 2/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 3/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
P4HTM Q9NXG6 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
PTGES O14684 1/20 0.34

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
SCHEMBL9521915 0.90 PTGS1 (0.44) PTGS2PTGS1CA1CA2ALDH1A1
SCHEMBL9522224 0.84 NPC1 (0.36) MEN1KMT2AMAPT
SCHEMBL9521696 0.80 HPGD (0.40) PTGS2PTGS1CA1CA2ALDH1A1
SCHEMBL9521926 0.79 KDM4E (0.54) PTGS2PTGS1ALDH1A1POLBGAA
SCHEMBL9366943 0.78 MAPT (0.39) ALDH1A1POLBCYP2C9KDM4ESMN1; SMN2
SCHEMBL7059356 0.78 GAA (0.35) PTGS1ALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL9520328 0.74 KMT2A (0.39) ALDH1A1POLBKDM4ESMN1; SMN2MEN1
SCHEMBL9522187 0.73 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL8057087 0.73 MAPT (0.38) ALDH1A1POLBKDM4ESMN1; SMN2MEN1
SCHEMBL7059454 0.73 MEN1 (0.38) ALDH1A1POLBKDM4ESMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0384889-B1 AGENT TO PROTECT PLANTS AGAINST DISEASES CIBA-GEIGY AG (CH) 1993-10-13 EP claimed
EP-0384889-A2 Agent to protect plants against diseases CIBA-GEIGY AG (CH) 1990-08-29 EP claimed
EP-0384889-B1 AGENT TO PROTECT PLANTS AGAINST DISEASES CIBA-GEIGY AG (CH) 1993-10-13 EP disclosed
EP-0384889-A2 Agent to protect plants against diseases CIBA-GEIGY AG (CH) 1990-08-29 EP disclosed