SCHEMBL28548460

SCHEMBL28548460

Cc1cc(C)n(-c2cc(Cl)nc(C(C)C)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
LMNA P02545 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FTO Q9C0B1 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
SCHEMBL19687283 0.85 HTT (0.62) HTTLMNACYP2C19CYP1A2ALDH1A1
SCHEMBL28546791 0.72 HSD17B10 (0.58) HTTLMNACYP2C19ALDH1A1L3MBTL1
SCHEMBL22020816 0.71 ALDH1A1 (0.56) LMNANPSR1ALDH1A1L3MBTL1TP53
SCHEMBL1936057 0.71 HTT (0.86) HTTLMNACYP2C19CYP1A2NPSR1
SCHEMBL29310610 0.70 MAPT (0.47) HTTLMNACYP2C19CYP1A2NPSR1
SCHEMBL19691025 0.70 HTT (0.65) HTTLMNACYP2C19CYP1A2NPSR1
SCHEMBL21144023 0.69 SMN1; SMN2 (0.58) HTTLMNACYP1A2ALDH1A1L3MBTL1
SCHEMBL28556791 0.69 NOTUM (0.45) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL11174391 0.68 HTT (1.00) HTTLMNACYP2C19CYP1A2NPSR1
SCHEMBL15980614 0.68 NOS3 (0.57) LMNACYP2C19ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112679555-A Broad-spectrum divalent platinum complex and preparation method and application thereof 南京工业大学 2021-04-20 CN claimed
CN-112679555-B Broad-spectrum divalent platinum complex and preparation method and application thereof 南京工业大学 2023-04-07 CN disclosed
CN-112679555-A Broad-spectrum divalent platinum complex and preparation method and application thereof 南京工业大学 2021-04-20 CN disclosed