SCHEMBL31389183

SCHEMBL31389183

CN1C(=O)C(O)(C(C)(C)C)c2cccc(Cl)c21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC2 Q92769 1/20 0.33
PGR P06401 2/20 0.32
RAD52 P43351 1/20 0.32
NOTUM Q6P988 2/20 0.31
ALDH1A1 P00352 3/20 0.31
RECQL P46063 1/20 0.31
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL11729450 0.76 SCN9A (0.46) SMN1; SMN2RECQL
SCHEMBL31389172 0.74 RAD52 (0.51) TSHRSMN1; SMN2RAD52ALDH1A1RECQL
SCHEMBL26852628 0.72 PGR (0.33) HDAC2PGRRAD52ALDH1A1RECQL
SCHEMBL11737036 0.71 BACE1 (0.38) TSHRPGRLMNATP53
SCHEMBL12536165 0.71 TSHR (0.47) PDK2TSHRSMN1; SMN2ALDH1A1
SCHEMBL31389178 0.70 PDK2 (0.38) PDK2RAD52ALDH1A1NPSR1LMNA
SCHEMBL31389181 0.70 POLB (0.51) PDK2SMN1; SMN2NOTUMALDH1A1RECQL
SCHEMBL29547846 0.68
SCHEMBL26891315 0.68 GRIN2D (0.33) TSHRHDAC2PGRRAD52LMNA
SCHEMBL20489275 0.66 AKR1B1 (0.32) HDAC2ALDH1A1

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-119264032-A Preparation method of 3-hydroxy-2-indolone compound 苏州大学 2025-01-07 CN disclosed