SCHEMBL28532121

SCHEMBL28532121

CCC1(CC)CC(c2ccccc2)CN1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 4/20 0.46
TSHR P16473 3/20 0.46
MMP2 P08253 1/20 0.45
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
RAB9A P51151 1/20 0.40
CYP2C19 P33261 1/20 0.40
PKM P14618 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
SCHEMBL28910674 0.92 ALDH1A1 (0.48) NPSR1SMN1; SMN2GAATSHRKMT2A
SCHEMBL28911265 0.89 ALDH1A1 (0.53) NPSR1MMP2KMT2AMAPTALDH1A1
SCHEMBL28542973 0.87 LMNA (0.49) SMN1; SMN2TSHRMAPTALDH1A1LMNA
SCHEMBL28541517 0.86 MMP2 (0.47) SMN1; SMN2MMP2KMT2AALDH1A1
SCHEMBL28542268 0.85 MAPT (0.47) SMN1; SMN2KMT2AMAPTALDH1A1LMNA
SCHEMBL28534735 0.79 MAPT (0.40) NPSR1SMN1; SMN2TSHRMMP2MAPT
SCHEMBL28540365 0.75 MAPT (0.46) SMN1; SMN2MMP2KMT2AMAPTALDH1A1
SCHEMBL28541495 0.75 ALDH1A1 (0.40) SMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL28540550 0.74 ALDH1A1 (0.39) SMN1; SMN2MMP2KMT2AMAPTALDH1A1
SCHEMBL28547367 0.74 MAPT (0.45) NPSR1SMN1; SMN2MMP2MAPTALDH1A1

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-112608269-B Method for catalytically synthesizing pyrrolidine by weak interaction of chalcogen 山东大学 2022-05-06 CN disclosed
CN-112608269-A Method for catalytically synthesizing pyrrolidine by weak interaction of chalcogen 山东大学 2021-04-06 CN disclosed