SCHEMBL31389181

SCHEMBL31389181

CN1C(=O)C(O)(C(C)(C)C)c2cc(Cl)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
ALDH1A1 P00352 3/20 0.46
RECQL P46063 1/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.43
IP6K1 Q92551 1/20 0.39
PDK2 Q15119 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CBX7 O95931 1/20 0.38
CDYL Q9Y232 1/20 0.38
NOTUM Q6P988 1/20 0.38
AKR1B1 P15121 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL31389182 0.82 NR1H3 (0.39) POLBALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL31389177 0.79 NQO2 (0.48) POLBALDH1A1PTGDR2PDK2MEN1
SCHEMBL31389185 0.79 OPRM1 (0.46) ALDH1A1MEN1KMT2ACA12CA9
SCHEMBL31389172 0.78 RAD52 (0.51) ALDH1A1RECQLMEN1KMT2ALMNA
SCHEMBL29267762 0.76 MEN1 (0.58) POLBALDH1A1RECQLPTGDR2MEN1
SCHEMBL31389175 0.74 SCN9A (0.50) POLBALDH1A1RECQLPTGDR2IP6K1
SCHEMBL17316276 0.70 ALDH1A1 (0.52) ALDH1A1PDK2MEN1KMT2ALMNA
SCHEMBL15544758 0.70 PDK2 (0.44) POLBALDH1A1RECQLPDK2LMNA
SCHEMBL31389183 0.70 PDK2 (0.36) ALDH1A1RECQLPDK2LMNASMN1; SMN2
SCHEMBL11194172 0.70 ALDH1A1 (0.48) POLBALDH1A1RECQLPTGDR2MEN1

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