SCHEMBL30433906

SCHEMBL30433906

O=C(O)C(CO)c1ccc(F)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
FABP4 P15090 1/20 0.41
RPA1 P27694 1/20 0.41
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
TSHR P16473 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
KDM4E B2RXH2 1/20 0.40
APP P05067 2/20 0.39
KMO O15229 1/20 0.39
SLC1A3 P43003 1/20 0.39

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
SCHEMBL25247413 1.00 MDM2 (0.43) MDM2MEN1KMT2ACYP3A4CYP2D6
SCHEMBL22230559 0.85 AKR1C3 (0.56) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL30435235 0.84 AKR1C3 (0.47) MEN1KMT2AAKR1C3AKR1C2TSHR
SCHEMBL25248825 0.84 AKR1C3 (0.47) MEN1KMT2AAKR1C3AKR1C2TSHR
SCHEMBL31038333 0.81 L3MBTL1 (0.44) MDM2MEN1KMT2ACYP3A4CYP2D6
SCHEMBL25285962 0.81 L3MBTL1 (0.44) MDM2MEN1KMT2ACYP3A4CYP2D6
SCHEMBL25285774 0.81 SLC6A2 (0.58) MDM2CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL12497309 0.81 CYP2C19 (0.55) MDM2MEN1KMT2ACYP3A4CYP2D6
SCHEMBL31170889 0.81 SLC6A2 (0.58) MDM2CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL25243231 0.81 CYP3A4 (0.42) MDM2CYP3A4CYP2D6SLC6A2SLC6A4

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
CN-118510768-A Diazasulfinyl structure-containing compounds and their use in medicine 赛诺哈勃药业(成都)有限公司 2024-08-16 CN disclosed
WO-2023116774-A1 COMPOUND CONTAINING BIS(AZANYLYLIDENE) SULFONYL STRUCTURE AND USE THEREOF IN MEDICINE 赛诺哈勃药业(成都)有限公司 2023-06-29 WO disclosed