SCHEMBL23205017

SCHEMBL23205017

CNC(=O)Cc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
HSD17B10 Q99714 1/20 0.49
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
RORC P51449 1/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL2531442 0.85 KMT2A (0.49) TDP1MEN1KMT2AHSD17B10MAPT
SCHEMBL4233955 0.84 NOX4 (0.49) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL8280283 0.83 HSD17B10 (0.53) TDP1MEN1KMT2AHSD17B10MAPT
SCHEMBL14439930 0.82 POLB (0.50) TDP1MEN1KMT2AHSD17B10MAPT
SCHEMBL31444647 0.82 LMNA (0.51) TDP1MEN1KMT2AMAPTPOLB
SCHEMBL2528182 0.81 CYP1A2 (0.64) MEN1KMT2AHSD17B10MAPTRORC
SCHEMBL7126585 0.81 HSD17B10 (0.55) MEN1KMT2AHSD17B10MAPTRORC
SCHEMBL3266897 0.81 CYP1A2 (0.64) MEN1KMT2AHSD17B10MAPTRORC
SCHEMBL30402470 0.81 HSD17B10 (0.55) TDP1MEN1KMT2AHSD17B10MAPT
SCHEMBL31534620 0.80 TDP1 (0.57) TDP1MEN1KMT2AMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021066608-A1 COMPOUND FOR INDUCING EXPRESSION OF ANTI-AGING GENE KLOTHO AND USE THEREOF 주식회사 클로소사이언스 2021-04-08 WO disclosed