SCHEMBL9060475

SCHEMBL9060475

CNC(=O)NSc1c(C)cccc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FGFR1 P11362 2/20 0.37
FGFR2 P21802 2/20 0.37
FGFR4 P22455 2/20 0.37
FGFR3 P22607 2/20 0.37
MYC P01106 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CNR1 P21554 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL9059810 0.73 SMN1; SMN2 (0.42) ALDH1A1L3MBTL1LMNATDP1KDM4E
SCHEMBL24884775 0.70 PDCD1 (0.41) ALDH1A1LMNAMYCKDM4EMAPT
SCHEMBL1276401 0.70 SMN1; SMN2 (0.47) ALDH1A1LMNAMAPTSMN1; SMN2NPC1
SCHEMBL9059530 0.70 MAPT (0.50) ALDH1A1L3MBTL1LMNATDP1MAPT
SCHEMBL9060925 0.69 ALDH1A1 (0.38) ALDH1A1L3MBTL1LMNAKDM4EMAPT
SCHEMBL9059356 0.68 AKR1C3 (0.46) ALDH1A1L3MBTL1LMNATDP1KDM4E
Bicarbonate SCHEMBL1839338 0.67 MCL1 (0.55) ALDH1A1MYCKDM4ESMN1; SMN2NPC1
Bicarbonate SCHEMBL28361291 0.67 PDCD1 (0.55) ALDH1A1LMNATDP1FGFR1FGFR2
Bicarbonate SCHEMBL9154479 0.67 PDCD1 (0.55) ALDH1A1LMNATDP1FGFR1FGFR2
SCHEMBL12051678 0.66 ALDH1A1 (0.68) ALDH1A1L3MBTL1KDM4EMAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996017612-A1 USE OF SUBSTITUTED PHENYLAMIDINE AND PHENYLGUANIDINE COMPOUNDS FOR THE TREATMENT OF CEREBRAL AND CARDIAC ISCHAEMIA, CONVULSION AND SICKLE CELL ANAEMIA KNOLL AKTIENGESELLSCHAFT (DE) 1996-06-13 WO disclosed