SCHEMBL13800984

SCHEMBL13800984

CCCOC(=O)c1nnc(N)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.41
HSD17B10 Q99714 2/20 0.40
HTT P42858 2/20 0.40
GRM6 O15303 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.39
ESR1 P03372 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
KDR P35968 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL13800905 0.90 LMNA (0.47) MAPTALDH1A1POLBHSD17B10LMNA
SCHEMBL283280 0.86 ALDH1A1 (0.52) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL12536605 0.85 ALDH1A1 (0.44) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL12350737 0.81 MAPT (0.45) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL368639 0.76 HSD17B10 (0.50) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL27988043 0.74 ALDH1A1 (0.53) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL13800896 0.73 POLB (0.39) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL2423902 0.72 LMNA (0.51) MAPTALDH1A1KMT2APOLBGRM6
SCHEMBL12536873 0.71 ALDH1A1 (0.44) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL13800945 0.71 HSD17B10 (0.40) ALDH1A1POLBHSD17B10HTTGRM6

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
EP-2070989-A1 METAL-CHELATE AZO DYE AND OPTICAL RECORDING MEDIUM Mitsubishi Kagaku Media Co., Ltd. (JP) 2009-06-17 EP disclosed