SCHEMBL8060693

SCHEMBL8060693

COc1ccc(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC(=O)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.43
MMP12 P39900 10/20 0.43
MMP9 P14780 10/20 0.43
MMP8 P22894 9/20 0.43
MMP13 P45452 9/20 0.43
MMP14 P50281 8/20 0.43
MMP16 P51512 8/20 0.43
CNR1 P21554 1/20 0.43
HSD11B1 P28845 1/20 0.43
KMT2A Q03164 2/20 0.42
MMP3 P08254 5/20 0.41
MMP1 P03956 4/20 0.41
ADAM17 P78536 1/20 0.41
PKM P14618 1/20 0.40
CA2 P00918 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ELANE P08246 1/20 0.39

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
SCHEMBL7542283 0.77 PTPN1 (0.54) CNR1HSD11B1KMT2APKMSMN1; SMN2
SCHEMBL2900573 0.74 KMT2A (0.67) MMP2MMP12MMP9MMP8MMP13
SCHEMBL7533431 0.73 PKM (0.47) MMP2MMP12MMP9MMP8MMP13
SCHEMBL11799574 0.72 TSHR (0.43) KMT2ASMN1; SMN2
SCHEMBL7534402 0.69 ALDH1A1 (0.61) KMT2ASMN1; SMN2
SCHEMBL14553430 0.68 PKM (0.58) HSD11B1KMT2APKMSMN1; SMN2
SCHEMBL27746984 0.67 ELANE (0.48) CA2SMN1; SMN2ELANE
SCHEMBL4615874 0.66 PKM (0.51) HSD11B1KMT2APKMSMN1; SMN2
SCHEMBL28311451 0.66 HSD11B1 (0.61) MMP2MMP12MMP9MMP8MMP13
SCHEMBL29057923 0.66 PKM (0.50) MMP2MMP12MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005453-A1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE AND CHOLESTEROL LOWERING AGENTS TULARIK, INC. (US) 2000-06-07 EP claimed
WO-1999010320-A1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE AND CHOLESTEROL LOWERING AGENTS TULARIK INC. (US) 1999-03-04 WO claimed