SCHEMBL4753173

SCHEMBL4753173

CN(C)CCCOc1cc([N+](=O)[O-])cc2c1OC(C)(C)C2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
CYP19A1 P11511 4/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
KCNH2 Q12809 2/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL4750822 0.94 CHRNB2 (0.44) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL4751070 0.87 ALDH1A1 (0.41) MAPTALDH1A1LMNASMN1; SMN2CYP19A1
SCHEMBL4750825 0.86 ALDH1A1 (0.40) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL4751039 0.86 ALDH1A1 (0.45) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL4751068 0.84 ALDH1A1 (0.41) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL4753368 0.84 ALDH1A1 (0.45) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL4753358 0.81 POLB (0.42) MAPTPOLBALDH1A1SMN1; SMN2NPC1
SCHEMBL6734151 0.78 ALDH1A1 (0.40) MAPTALDH1A1LMNASMN1; SMN2CYP19A1
SCHEMBL4044524 0.74 LMNA (0.42) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL4750889 0.74 POLB (0.42) MAPTPOLBALDH1A1LMNANPC1

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
WO-2008146063-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT6 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársagág (HU) 2008-12-04 WO disclosed