SCHEMBL9487237

SCHEMBL9487237

CN(C)/C=N/c1scc(Cl)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.44
MAPT P10636 8/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
ALOX15 P16050 2/20 0.44
RAB9A P51151 4/20 0.43
LMNA P02545 3/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 3/20 0.39
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 3/20 0.35
NPSR1 Q6W5P4 3/20 0.34
MAPK1 P28482 2/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 2/20 0.33
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
RECQL P46063 1/20 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
SCHEMBL9487242 1.00 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL15743204 0.78 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL9486433 0.71 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL9486428 0.71 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL9487845 0.71 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL9487852 0.71 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL10875341 0.70 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EHPGDALOX15
Bromide SCHEMBL9487491 0.69 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EHPGDALOX15
Bromide SCHEMBL9487486 0.69 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL9388384 0.68 GAA (0.51) ALDH1A1MAPTKDM4EHPGDALOX15

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
US-5206375-A Thiophene derivatives BASF AKTIENGESELLSCHAFT (DE) 1993-04-27 US disclosed