SCHEMBL31248552

SCHEMBL31248552

OCCc1cc2c(Br)cccc2o1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.37
MTNR1A P48039 7/20 0.34
MTNR1B P49286 7/20 0.34
HTR2B P41595 6/20 0.34
HTR3A P46098 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
RECQL P46063 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ATM Q13315 1/20 0.32
RCE1 Q9Y256 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL8441084 0.86 HDAC6 (0.38) PPARGHTR2BSLC22A12RECQLLOXL2
SCHEMBL5031396 0.82 CYP11B1 (0.38) PPARGHTR2BSLC22A12RECQLLOXL2
SCHEMBL2783906 0.81 HTR2B (0.44) PPARGHTR2BHTR3A
SCHEMBL31248498 0.79 PPARG (0.35) PPARGMTNR1AMTNR1BHTR2BSLC22A12
SCHEMBL19925815 0.72 PPARG (0.69) PPARGHTR2BHTR3ANPC1RAB9A
SCHEMBL16632533 0.71 MAOA (0.37) LOXL2MEN1KMT2ANPC1RAB9A
SCHEMBL5545134 0.71 AGXT (0.34) PPARGHTR2BSLC22A12LOXL2
SCHEMBL2249038 0.71 LOXL2 (0.60) HTR2BLOXL2MEN1KMT2ARAB9A
SCHEMBL2786365 0.70 TNKS (0.43) HTR2B
SCHEMBL1850465 0.70 CYP11B1 (0.37) PPARG

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
WO-2024217519-A1 PYRROLE SULFONYL DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 天地恒一制药股份有限公司 2024-10-24 WO disclosed