SCHEMBL4308472

SCHEMBL4308472

CCC(=O)Nn1cccn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.38
THRB P10828 2/20 0.38
ELANE P08246 1/20 0.38
LMNA P02545 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
NLRP3 Q96P20 1/20 0.35
PSMB8 P28062 1/20 0.34
PSMB5 P28074 1/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL12630095 0.87 GLS (0.36) GLSTHRBELANELMNAHDAC1
SCHEMBL12987639 0.87 ALOX5 (0.43) THRBELANELMNAHDAC1HDAC6
SCHEMBL11214735 0.81 ALDH1A1 (0.40) GLSELANELMNAHDAC1HDAC6
SCHEMBL29676655 0.80 NLRP3 (0.43) THRBLMNATSHRKMT2AGAA
SCHEMBL8545489 0.79
Hydrochloric Acid SCHEMBL4755774 0.78 ELANE (0.37) GLSELANELMNAHDAC1HDAC6
SCHEMBL5611586 0.78
SCHEMBL3741411 0.76 LMNA (0.41) LMNA
SCHEMBL3731218 0.76 LMNA (0.41) LMNA
SCHEMBL1259259 0.75 MEN1 (0.51) GLSLMNAHDAC6MEN1KMT2A

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
EP-4125846-A1 PYRAZOLYLPROPANAMIDE COMPOUNDS AND USES THEREOF FOR TREATMENT OF PROSTATE CANCER University of Tennessee Research Foundation (US) 2023-02-08 EP disclosed
WO-2021257857-A1 NAPHTHYRIDINONE COMPOUNDS AS JAK2 V617F INHIBITORS INCYTE CORPORATION (US) 2021-12-23 WO disclosed
WO-2021202936-A1 PYRAZOLYLPROPANAMIDE COMPOUNDS AND USES THEREOF FOR TREATMENT OF PROSTATE CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2021-10-07 WO disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 WO disclosed