SCHEMBL3817412

SCHEMBL3817412

COC(=O)c1ccc(F)c2ccsc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ABL1 P00519 1/20 0.38
CNR2 P34972 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
PTGS1 P23219 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL20509597 0.87 KMT2A (0.41) KMT2ASMN1; SMN2MEN1MAPTKDM4E
SCHEMBL12565526 0.82 KMT2A (0.42) KMT2ASMN1; SMN2MEN1MAPTKDM4E
SCHEMBL24946534 0.81 KMT2A (0.41) KMT2ASMN1; SMN2MEN1MAPTKDM4E
SCHEMBL29558998 0.81 KMT2A (0.41) KMT2ASMN1; SMN2MEN1MAPTKDM4E
SCHEMBL3815597 0.80 CSNK2A1 (0.38) KMT2AMEN1MAPTPOLB
SCHEMBL3816635 0.74 CA12 (0.41) KMT2ASMN1; SMN2MEN1MAPTKDM4E
SCHEMBL31095680 0.74 KMT2A (0.41) KMT2ASMN1; SMN2MEN1MAPTKDM4E
SCHEMBL3812007 0.74 ALDH1A1 (0.39) KMT2ASMN1; SMN2MEN1MAPTKDM4E
SCHEMBL1096857 0.73 BRD4 (0.50) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL30764864 0.73 BRD4 (0.50) KMT2AMEN1MAPTKDM4EALDH1A1

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
EP-1186594-B1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO LTD (JP) 2009-08-05 EP disclosed
US-6797726-B1 N-alkoxyalkyl-N,N-dialkylamine derivatives or salts thereof, and remedies for nerve degeneration diseases containing the same TOYAMA CHEMICAL CO., LTD. (JP) 2004-09-28 US disclosed
EP-1186594-A1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2002-03-13 EP disclosed