SCHEMBL10700306

SCHEMBL10700306

CCN1C(=O)C(C)(C)c2cc(NC(=O)c3ccc(OC)cc3)c([N+](=O)[O-])cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
POLB P06746 1/20 0.47
LMNA P02545 3/20 0.46
CYP2C9 P11712 2/20 0.45
CYP1A2 P05177 1/20 0.45
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
CYP2C19 P33261 1/20 0.42
ALOX5 P09917 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SCD O00767 1/20 0.41

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
SCHEMBL10709260 0.93 MAPT (0.49) MAPTNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL10696183 0.91 MAPT (0.51) MAPTNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL10700803 0.91 MAPT (0.48) MAPTNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL10699942 0.90 MAPT (0.51) MAPTNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL10700798 0.89 LMNA (0.48) MAPTNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL10708448 0.89 PHGDH (0.47) MAPTNPC1RAB9AMAPK1KMT2A
SCHEMBL10714574 0.89 MAPT (0.40) MAPTNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL2485964 0.88 LMNA (0.47) MAPTNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL10699123 0.88 MAPT (0.52) MAPTNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL10711637 0.88 NPC1 (0.48) MAPTNPC1RAB9AMAPK1SMN1; 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