SCHEMBL31020180

SCHEMBL31020180

CC(C)(C)[S+]([O-])NC1CCn2c(C(=O)Nc3ccc(F)c(Cl)c3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
IDO1 P14902 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MALT1 Q9UDY8 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
FADS1 O60427 1/20 0.40
THRB P10828 1/20 0.39
CNR1 P21554 1/20 0.39
GPR35 Q9HC97 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
NR1I2 O75469 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
SCHEMBL23496538 1.00 HTT (0.42) HTTSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL21633710 0.82 KMT2A (0.48) HTTSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL31020187 0.82 MEN1 (0.46) HTTSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL23516703 0.82 MEN1 (0.46) HTTSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL31020184 0.79 KMT2A (0.48) MAPTKMT2AMEN1ALDH1A1IDO1
SCHEMBL23496549 0.79 KMT2A (0.48) MAPTKMT2AMEN1ALDH1A1IDO1
SCHEMBL29656390 0.76 FADS1 (0.44) HTTSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL29656234 0.76 FADS1 (0.44) HTTSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL30644709 0.76 FADS1 (0.44) HTTSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL26597391 0.76 FADS1 (0.44) HTTSMN1; SMN2MAPTKMT2AMEN1

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-112638376-B Substituted tetrahydrocyclopenta [ c ] pyrroles, substituted dihydropyrrolidines, analogs thereof, and methods of use thereof 爱彼特生物制药公司 2024-08-02 CN disclosed