SCHEMBL13680763

SCHEMBL13680763

Cc1ccc2c(C(C)N)coc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALOX15 P16050 1/20 0.44
HPGD P15428 4/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK10 P53779 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
MAOB P27338 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 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
SCHEMBL27149440 0.77 CA2 (0.41) MAOBCYP3A4CYP2D6
SCHEMBL140190 0.77 CA2 (0.41) MAOBCYP3A4CYP2D6
SCHEMBL30824592 0.77 CA2 (0.41) MAOBCYP3A4CYP2D6
SCHEMBL28600756 0.76 MAPT (0.45) MAPTSMN1; SMN2ALOX15HPGDALDH1A1
SCHEMBL13917260 0.74 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL17321020 0.73 MAPT (0.40) MAPTSMN1; SMN2ALOX15HPGDALDH1A1
SCHEMBL22868110 0.73 SMN1; SMN2 (0.49) MAPTSMN1; SMN2ALOX15HPGDALDH1A1
SCHEMBL8269304 0.73 MAPT (0.49) MAPTSMN1; SMN2ALOX15HPGDALDH1A1
SCHEMBL5986723 0.72 MAPT (0.51) MAPTSMN1; SMN2ALOX15HPGDALDH1A1
SCHEMBL17321019 0.71 ALDH1A1 (0.41) MAPTSMN1; SMN2ALOX15ALDH1A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed