SCHEMBL9423971

SCHEMBL9423971

FC(F)(F)c1ccc(N2CCOCC2)c(N=C=S)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
LMNA P02545 6/20 0.58
KDM4E B2RXH2 3/20 0.58
SMN1; SMN2 Q16637 6/20 0.47
TSHR P16473 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
ALOX12 P18054 1/20 0.45
GAA P10253 2/20 0.44
HSD17B10 Q99714 1/20 0.43
SRPK1 Q96SB4 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL9424379 0.82 SMN1; SMN2 (0.40) ALDH1A1LMNAKDM4ESMN1; SMN2TSHR
SCHEMBL13190055 0.82 ALDH1A1 (0.62) ALDH1A1LMNAKDM4ESMN1; SMN2TSHR
SCHEMBL9423830 0.79 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2L3MBTL1GAA
SCHEMBL9424384 0.79 AKR1C3 (0.48) LMNASMN1; SMN2TSHRL3MBTL1NPSR1
SCHEMBL9424280 0.77 ALDH1A1 (0.44) ALDH1A1LMNAKDM4ESMN1; SMN2TSHR
SCHEMBL10104444 0.75 ALDH1A1 (0.69) ALDH1A1LMNAKDM4ESMN1; SMN2TSHR
SCHEMBL9423950 0.75 LMNA (0.43) ALDH1A1LMNAKDM4EL3MBTL1NPSR1
SCHEMBL330446 0.74 ALDH1A1 (1.00) ALDH1A1LMNAKDM4ESMN1; SMN2TSHR
SCHEMBL31210318 0.74 ALDH1A1 (1.00) ALDH1A1LMNAKDM4ESMN1; SMN2TSHR
SCHEMBL9060037 0.74 ALDH1A1 (0.55) ALDH1A1LMNAKDM4ESMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5373008-A Phenylamidine and phenylguanidine derivatives and their use as anti-diabetic agents THE BOOTS COMPANT PLC. (GB) 1994-12-13 US disclosed
US-5223498-A Hypoglycemic agents THE BOOTS COMPANY PLC (GB) 1993-06-29 US disclosed
EP-0385038-B1 ORTHO-SUBSTITUTED PHENYL AMIDINE AND PHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM The Boots Company PLC (GB) 1993-06-02 EP disclosed
EP-0385038-A1 Ortho-substituted phenyl amidine and phenyl guanidine derivatives and antidiabetic or hypoglycaemic agents containing them The Boots Company PLC (GB) 1990-09-05 EP disclosed