SCHEMBL30958005

SCHEMBL30958005

Cc1ccc(S(=O)(=O)O)c(-c2cc(-c3cc(C)ccc3S(=O)(=O)O)c(C=O)c(OCc3ccccc3)c2C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGER1 P34995 2/20 0.36
PTGER4 P35408 2/20 0.36
PTGER3 P43115 2/20 0.36
PTGER2 P43116 2/20 0.36
PTPN1 P18031 1/20 0.36
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL29266632 1.00 AR (0.40) ARNPC1RAB9AMEN1KMT2A
SCHEMBL30368362 0.85 MEN1 (0.33) MEN1KMT2APTGER4SMN1; SMN2L3MBTL1
SCHEMBL30368062 0.82 ALDH1A1 (0.38) KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL30970489 0.81 ERN1 (0.44) ARNPC1RAB9AMEN1KMT2A
SCHEMBL30368321 0.80 KDM2B (0.32)
SCHEMBL30301734 0.78 ALB (0.37) RAB9AMEN1KMT2AMAOAMAOB
SCHEMBL30368399 0.78 THRA (0.34) MEN1KMT2AMAOAMAOB
SCHEMBL29266679 0.78 THRA (0.34) MEN1KMT2AMAOAMAOB
Water SCHEMBL2340363 0.73 MRGPRX4 (0.50) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL3209029 0.73 MAOB (0.42) PTGER1PTGER4PTGER3PTGER2MAOB

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-118317954-A Indoline as PROTAC compound 奈奥芬莱有限公司 2024-07-09 CN disclosed
CN-118317949-A Isoindolines as PMS2 inhibitors 奈奥芬莱有限公司 2024-07-09 CN disclosed