SCHEMBL28298613

SCHEMBL28298613

NS(=O)(=O)c1cccc(CC2CCCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CA2 P00918 4/20 0.48
CA1 P00915 3/20 0.48
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA7 P43166 1/20 0.44
CTSD P07339 2/20 0.44
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CA4 P22748 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDE4D Q08499 1/20 0.41
PDE7A Q13946 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41

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
Hydrochloric Acid SCHEMBL6393615 0.84 GBA1 (0.53) MEN1KMT2ACA2CA1CA12
SCHEMBL5160716 0.80 CA2 (0.54) MEN1KMT2ACA2CA1CA12
SCHEMBL28343967 0.75 PLAU (0.40)
SCHEMBL10347651 0.75 MAOA (0.46) MEN1KMT2A
SCHEMBL22170191 0.73 PRMT6 (0.49) SMN1; SMN2
SCHEMBL1238863 0.73 MEN1 (0.57) MEN1KMT2ACA2CA1CA12
SCHEMBL13432911 0.73 HTR6 (0.42) MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL9796363 0.73 PTGS2 (0.42) CA2CA1CA12CA9CA14
SCHEMBL13964066 0.73 KMT2A (0.46) MEN1KMT2ACA2CA1CA12
SCHEMBL30755238 0.72 CA1 (0.53) MEN1KMT2ACA2CA1CA12

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
CN-109715629-A AZA-INDAZOLE COMPOUNDS FOR USE IN TENDON AND/OR LIGAMENT INJURIES 诺华股份有限公司 2019-05-03 CN disclosed