SCHEMBL29645019

SCHEMBL29645019

CCOc1ccc2nc(C(=O)ON)sc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.61
TDP1 Q9NUW8 4/20 0.61
LMNA P02545 2/20 0.61
KDM4E B2RXH2 2/20 0.61
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA3 P07451 1/20 0.61
PKM P14618 1/20 0.61
CA4 P22748 1/20 0.61
CA6 P23280 1/20 0.61
CA5A P35218 1/20 0.61
CA7 P43166 1/20 0.61
HIF1A Q16665 1/20 0.61
CA9 Q16790 1/20 0.61
CA13 Q8N1Q1 1/20 0.61
CA14 Q9ULX7 1/20 0.61
CA5B Q9Y2D0 1/20 0.61
ALDH1A1 P00352 6/20 0.60
HSD17B10 Q99714 3/20 0.60

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
SCHEMBL4638895 0.86 KMT2A (0.64) KMT2ATDP1LMNAKDM4ECA12
SCHEMBL13805532 0.79 SMN1; SMN2 (0.51) KMT2ATDP1LMNAKDM4ECA12
SCHEMBL16553990 0.77 SCD (0.50) KMT2ATDP1LMNAKDM4ECA12
SCHEMBL2091022 0.76 ALDH1A1 (0.60) KMT2ATDP1LMNAKDM4ECA12
SCHEMBL233589 0.76 CYP3A4 (1.00) KMT2ATDP1LMNAKDM4ECA12
Ethoxzolamide SCHEMBL29581803 0.76 CA2 (1.00) KMT2ATDP1LMNAKDM4ECA12
Ethoxzolamide SCHEMBL63941 0.76 CA2 (1.00) KMT2ATDP1LMNAKDM4ECA12
SCHEMBL4991903 0.76 MAPT (0.53) KMT2ATDP1LMNAKDM4ECA12
SCHEMBL10475190 0.75 ALDH1A1 (0.67) KMT2ATDP1LMNAKDM4ECA12
SCHEMBL6689290 0.75 PDK1 (0.69) KMT2ATDP1LMNAKDM4ECA12

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
US-20220411733-A1 Method and System for Converting Electricity into Alternative Energy Resources UNIV CHICAGO (US) 2022-12-29 US disclosed
CN-113363932-B Series short-circuit fault detection and protection circuit based on electrolytic capacitor 山东建筑大学 2022-06-21 CN disclosed