SCHEMBL9847727

SCHEMBL9847727

CC(C)(C)C1CN(c2cc(NC3CC3)c([N+](=O)[O-])cc2F)CCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 7/20 0.43
MAPT P10636 9/20 0.41
ALDH1A1 P00352 5/20 0.41
HCAR3 P49019 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 3/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
DCTPP1 Q9H773 1/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL9302938 0.84 GPR174 (0.54) GPR174MAPTALDH1A1HCAR3SMN1; SMN2
SCHEMBL9302948 0.84 GPR174 (0.54) GPR174MAPTALDH1A1HCAR3SMN1; SMN2
SCHEMBL9302533 0.79 GPR174 (0.67) GPR174MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL9303323 0.79 MAPT (0.54) GPR174MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL9301752 0.77 MAPT (0.62) GPR174MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL17491561 0.77 LMNA (0.48) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL17491560 0.77 LMNA (0.48) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL16752978 0.77 MAPT (0.42) GPR174MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL16752982 0.77 MAPT (0.42) GPR174MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL16752936 0.75 SIRT6 (0.41) MAPTALDH1A1LMNAMEN1KMT2A

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-0433648-A1 Substituted pyrimidobenzimidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-06-26 EP disclosed