SCHEMBL31322362

SCHEMBL31322362

O=S(=O)(c1ccc(N2CCNCC2)cc1)N1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.65
USP2 O75604 1/20 0.65
HTR6 P50406 2/20 0.62
LMNA P02545 2/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
HTR2C P28335 2/20 0.56
HTR2B P41595 2/20 0.56
POLB P06746 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
AKR1C3 P42330 1/20 0.54
HTT P42858 1/20 0.51

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
SCHEMBL2836378 0.98 MAPT (0.67) MAPTUSP2HTR6LMNAKDM4E
SCHEMBL10445165 0.88 USP2 (0.77) MAPTUSP2LMNAALDH1A1POLB
SCHEMBL18553718 0.86 KDM4E (0.65) MAPTHTR6LMNAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL31322341 0.81 HTR6 (0.66) HTR6LMNAALDH1A1HTR2CHTR2B
SCHEMBL6801727 0.81 MAPT (0.65) MAPTUSP2LMNAPOLBMEN1
SCHEMBL19392491 0.80 POLB (0.80) MAPTUSP2LMNAKDM4EALDH1A1
Aziridine SCHEMBL22778235 0.80 KMT2A (0.76) USP2LMNAKDM4EALDH1A1HTR2C
SCHEMBL7131785 0.79 MAPT (0.58) MAPTUSP2LMNAKDM4EALDH1A1
SCHEMBL6802663 0.79 MAPT (0.67) MAPTUSP2LMNAALDH1A1POLB
SCHEMBL30099109 0.78 KMT2A (0.77) MAPTUSP2LMNAPOLBMEN1

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-119497615-A TPK agonists and methods of using the same for treating neurodegenerative diseases 上海日馨医药科技股份有限公司 2025-02-21 CN disclosed