SCHEMBL18090577

SCHEMBL18090577

CN(CCN1CCOCC1)S(=O)(=O)c1ccsc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.43
KDM4E B2RXH2 4/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
MMP3 P08254 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BMP1 P13497 1/20 0.41
CASR P41180 2/20 0.41
MEN1 O00255 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 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
SCHEMBL18090578 0.88 CASR (0.50) ALDH1A1KMT2ALMNAKDM4ETSHR
SCHEMBL17888987 0.77 KMT2A (0.44) ALDH1A1KMT2AHPGDLMNAKDM4E
SCHEMBL28092846 0.75 MEN1 (0.58) ALDH1A1KMT2AHPGDKDM4EMMP3
SCHEMBL16691260 0.74 GAA (0.54) ALDH1A1KMT2ATSHRGAASMN1; SMN2
SCHEMBL27249544 0.72 LMNA (0.47) ALDH1A1KMT2ALMNASMN1; SMN2MEN1
SCHEMBL16691268 0.70 TRPM8 (0.45) ALDH1A1KMT2AMMP3GAABMP1
SCHEMBL2376923 0.70 SIGMAR1 (0.76) ALDH1A1KMT2ALMNATSHRMMP3
SCHEMBL3829272 0.69 CYP2C9 (0.50) KMT2AKDM4EGAASMN1; SMN2
SCHEMBL29336734 0.69 CYP2D6 (0.48) ALDH1A1LMNAKDM4EGAA
SCHEMBL12015839 0.68 PKM (0.43) ALDH1A1KMT2AKDM4EMMP3SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440954-B2 Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-09-13 US disclosed
US-9440954-B2 Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-09-13 US disclosed
CN-104334542-A Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMA SPA 2015-02-04 CN disclosed