SCHEMBL10700798

SCHEMBL10700798

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
MAPT P10636 10/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 2/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
POLB P06746 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.39
ALOX5 P09917 1/20 0.39
ABCG2 Q9UNQ0 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
SCHEMBL10700306 0.89 MAPT (0.51) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2485964 0.89 LMNA (0.47) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10709260 0.88 MAPT (0.49) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10700803 0.88 MAPT (0.48) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10696183 0.86 MAPT (0.51) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2488921 0.85 LMNA (0.51) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10699942 0.85 MAPT (0.51) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10699123 0.85 MAPT (0.52) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10695938 0.84 MAPT (0.52) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2490057 0.81 MAPT (0.58) LMNAMAPTSMN1; SMN2KMT2AMEN1

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