SCHEMBL14435888

SCHEMBL14435888

CCC(=O)Nc1ccc(-n2ncoc2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 2/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
TP53 P04637 1/20 0.45
ATM Q13315 1/20 0.44
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL11884923 0.81 PEPD (0.43) NPC1MEN1KMT2AMAPTGAA
SCHEMBL13989319 0.73 GAA (0.73) HTTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL1631466 0.69 ALDH1A1 (0.47) HTTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL22500270 0.68 POLB (0.76) HTTSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL6525810 0.68 MAPT (0.57) HTTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL1379531 0.68 F10 (0.52) HTTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL30555325 0.67 HTT (0.97) HTTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL6945778 0.67 MAPT (0.56) HTTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL16001247 0.66 ALDH1A1 (0.54) HTTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL11181809 0.66 TP53 (0.58) SMN1; SMN2RAB9ANPC1MEN1KMT2A

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-7262252-B2 Nonlinear optical materials comprising fluorine-containing polymer DAIKIN INDUSTRIES, LTD. (JP) 2007-08-28 US disclosed