SCHEMBL23714486

SCHEMBL23714486

O=S(=O)(Cc1cccc(O)c1)N1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.63
TSHR P16473 1/20 0.63
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL2937860 0.81 HPGD (0.63) HPGDTSHRALDH1A1KMT2A
SCHEMBL10210773 0.81 HPGD (0.63) HPGDTSHRALDH1A1KMT2AMAPT
SCHEMBL4431567 0.79 HPGD (0.66) HPGDTSHRALDH1A1KDM4EMAPT
SCHEMBL6738518 0.79 TSHR (0.96) HPGDTSHRALDH1A1KMT2AKDM4E
SCHEMBL9612077 0.78 TSHR (1.00) HPGDTSHRALDH1A1KMT2AKDM4E
SCHEMBL3936704 0.78 TSHR (1.00) HPGDTSHRALDH1A1KMT2AKDM4E
SCHEMBL10169498 0.77 HPGD (0.58) HPGDTSHRALDH1A1KMT2AKDM4E
SCHEMBL14050542 0.77 HPGD (0.62) HPGDTSHRALDH1A1KDM4EMAPT
SCHEMBL8532609 0.75 ENPP2 (0.54) TSHRALDH1A1KMT2AKDM4EMAPT
SCHEMBL7929101 0.75 ENPP2 (0.54) ALDH1A1KMT2AKDM4EMAPT

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
EP-3594203-B1 SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2021-08-04 EP disclosed