SCHEMBL31352145

SCHEMBL31352145

CCOC(=O)c1cnn(C(C)(C)C)c1NC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 9/20 0.46
KDM4E B2RXH2 2/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 1/20 0.43
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 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
SCHEMBL574545 0.81 RAB9A (0.48) CYP3A4CYP2C19ALDH1A1KDM4ERAB9A
SCHEMBL26099158 0.80 ALDH1A1 (0.48) CYP3A4CYP2C19ALDH1A1KDM4ERAB9A
SCHEMBL31352094 0.80 KDM4C (0.38) ALDH1A1KDM4ERAB9ANPC1TSHR
SCHEMBL2671293 0.79 CYP3A4 (0.46) CYP3A4CYP2C19ALDH1A1KDM4ERAB9A
SCHEMBL1406972 0.79 HTT (0.46) CYP3A4CYP2C19ALDH1A1KDM4EHTT
SCHEMBL25339625 0.79 RAB9A (0.46) CYP3A4CYP2C19ALDH1A1KDM4ERAB9A
SCHEMBL2672130 0.79 RAB9A (0.46) CYP3A4CYP2C19ALDH1A1KDM4ERAB9A
SCHEMBL1406913 0.79 RAB9A (0.59) ALDH1A1KDM4EHTTRAB9ANPC1
SCHEMBL31352268 0.78 KDM4E (0.45) CYP3A4CYP2C19ALDH1A1KDM4ERAB9A
SCHEMBL29953140 0.77 NPC1 (0.44) CYP3A4CYP2C19ALDH1A1KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4737449-A1 P53-Y220C SELECTIVE SMALL-MOLECULAR REACTIVATOR COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF Changchun Genescience Pharmaceutical Co., Ltd. (CN) 2026-05-06 EP disclosed
WO-2025002177-A1 P53-Y220C SELECTIVE SMALL-MOLECULAR REACTIVATOR COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF 长春金赛药业有限责任公司 2025-01-02 WO disclosed