SCHEMBL28058401

SCHEMBL28058401

COc1ccc(N=S(=O)=O)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPK1 P28482 3/20 0.49
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 4/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.42
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
POLB P06746 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
G6PD P11413 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
MERTK Q12866 1/20 0.40

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
SCHEMBL11522307 0.82 KDM4E (0.43) ALDH1A1KDM4EMAPK1MEN1KMT2A
SCHEMBL13237378 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EMAPK1MEN1KMT2A
SCHEMBL14139413 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EMAPK1MEN1KMT2A
SCHEMBL11692257 0.79 TSHR (0.56) ALDH1A1KDM4EMAPK1MEN1KMT2A
SCHEMBL12926882 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EMAPK1MEN1KMT2A
SCHEMBL3836840 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EMAPK1MEN1KMT2A
SCHEMBL31152344 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EMAPK1MEN1KMT2A
SCHEMBL1457307 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EMAPK1MEN1KMT2A
SCHEMBL13021472 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EMAPK1MEN1KMT2A
SCHEMBL11879040 0.77 PLAU (0.55) ALDH1A1KDM4EMAPK1MEN1KMT2A

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
CN-110143999-A Have cytotoxicity and antimitotic compound and its application method 酵活有限公司 2019-08-20 CN disclosed
CN-105358174-B Cytotoxic and antimitotic compounds and methods of use thereof 酵活有限公司 2019-03-15 CN disclosed
CN-106459162-A VAR2CSA-drug conjugates 酵活有限公司 2017-02-22 CN disclosed
CN-105358174-A Cytotoxic and antimitotic compounds and methods of use thereof CT FOR DRUG RES AND DEV 2016-02-24 CN disclosed