SCHEMBL29128253

SCHEMBL29128253

O=c1[nH]cc(CSCC(I)COc2ccccc2)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPYD Q12882 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ USP2 O75604 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ SCN4A P35499 2/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ DAO P14920 2/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.30
▸ MTNR1A P48039 3/20 0.30
▸ MTNR1B P49286 3/20 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
SCHEMBL29128304 0.85 KDM4E (0.32) ALDH1A1LMNASCN4AKMT2AHSD17B10
SCHEMBL29128584 0.85 USP2 (0.36) DPYDALDH1A1USP2TDP1L3MBTL1
SCHEMBL29128431 0.82 DPYD (0.34) DPYDALDH1A1USP2TDP1L3MBTL1
SCHEMBL29128290 0.80 USP2 (0.33) DPYDALDH1A1USP2TDP1L3MBTL1
SCHEMBL29128546 0.76 KCNA3 (0.41) DPYDALDH1A1USP2TDP1L3MBTL1
SCHEMBL29128480 0.75 USP2 (0.31) DPYDALDH1A1USP2TDP1L3MBTL1
SCHEMBL29128521 0.74 MAPT (0.30) MAPT
SCHEMBL29125750 0.73 ALDH1A1 (0.46) ALDH1A1USP2TDP1L3MBTL1KMT2A
SCHEMBL29128393 0.72 DAO (0.50) DPYDALDH1A1USP2TDP1L3MBTL1
SCHEMBL29128207 0.70 RAB9A (0.45) ALDH1A1USP2TDP1L3MBTL1PABPC1

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-117263862-A Phenol-1, 3-oxazole/dihydroimidazole-2-ketone/thioketone compound and synthesis and application thereof 吉首大学 2023-12-22 — — CN disclosed
Send feedback