SCHEMBL9424375

SCHEMBL9424375

CN/C(=N\c1ccc(SC)cc1N1CCOCC1)NC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 4/20 0.37
ALOX15 P16050 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 2/20 0.37
TSHR P16473 1/20 0.37
KDM1A O60341 1/20 0.34
LRRK2 Q5S007 1/20 0.34
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL9424377 1.00 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2MAPTALOX15MEN1
SCHEMBL9423899 0.86 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPTALOX15MEN1
SCHEMBL9060361 0.86 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPTALOX15MEN1
SCHEMBL9424525 0.84 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2MAPTMEN1HTT
SCHEMBL9424532 0.84 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2MAPTMEN1HTT
SCHEMBL9423994 0.84 GAA (0.34) ALDH1A1MEN1LMNAKMT2ARAB9A
SCHEMBL9423996 0.84 GAA (0.34) ALDH1A1MEN1LMNAKMT2ARAB9A
SCHEMBL9424153 0.81 ALOX15 (0.39) ALDH1A1SMN1; SMN2MAPTALOX15MEN1
SCHEMBL9424151 0.81 ALOX15 (0.39) ALDH1A1SMN1; SMN2MAPTALOX15MEN1
SCHEMBL9060038 0.80 MAPT (0.38) ALDH1A1SMN1; SMN2MAPTALOX15MEN1

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-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-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