SCHEMBL10695938

SCHEMBL10695938

COc1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])N(C)C(=O)C3(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.52
NPC1 O15118 2/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 2/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
POLB P06746 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
ABCB1 P08183 2/20 0.45
ABCC1 P33527 1/20 0.45
ALOX5 P09917 1/20 0.44
F10 P00742 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
SNCA P37840 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL10700803 0.88 MAPT (0.48) MAPTNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL10709260 0.88 MAPT (0.49) MAPTNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL10700306 0.87 MAPT (0.51) MAPTNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL2488921 0.87 LMNA (0.51) MAPTNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL2488864 0.87 MAPT (0.51) MAPTNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL10696183 0.86 MAPT (0.51) MAPTNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL10693972 0.86 NPC1 (0.41) MAPTNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL10530679 0.85 MAPT (0.49) MAPTNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL2485964 0.85 LMNA (0.47) MAPTNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL10699942 0.85 MAPT (0.51) MAPTNPC1MAPK1RAB9ASMN1; 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
EP-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed