SCHEMBL27367367

SCHEMBL27367367

[CH2]CCCc1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.51
SLC2A1 P11166 1/20 0.49
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
PDE10A Q9Y233 1/20 0.47
HPGD P15428 1/20 0.47
DHODH Q02127 1/20 0.45
CYP2C9 P11712 1/20 0.44
ACACA Q13085 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TACR3 P29371 1/20 0.43

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
SCHEMBL27917367 0.84 DHODH (0.58) ACHESLC2A1LMNASMN1; SMN2HPGD
SCHEMBL7450288 0.83 ACHE (0.58) ACHESLC2A1LMNASMN1; SMN2KDM4E
SCHEMBL8091105 0.83 ACHE (0.54) ACHESLC2A1LMNASMN1; SMN2KDM4E
SCHEMBL9988793 0.83 DHODH (0.53) ACHESLC2A1LMNASMN1; SMN2KDM4E
SCHEMBL8675109 0.83 ACHE (0.50) ACHESLC2A1LMNASMN1; SMN2KDM4E
SCHEMBL20414372 0.81 DHODH (0.52) ACHESLC2A1LMNASMN1; SMN2KDM4E
SCHEMBL20414364 0.81 ACHE (0.53) ACHESLC2A1LMNASMN1; SMN2KDM4E
SCHEMBL10674581 0.80 PDE10A (0.55) LMNASMN1; SMN2KDM4EPDE10ADHODH
SCHEMBL10673312 0.79 PDE10A (0.54) LMNASMN1; SMN2KDM4EPDE10ADHODH
Bromide SCHEMBL4455959 0.79 ACHE (0.53) ACHESLC2A1LMNASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1088709-C Amine compound and its acid addition salt ROUSSEL UCLAF (FR) 2002-08-07 CN disclosed
CN-1052984-C Novel erythromycin derivatives, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 2000-05-31 CN disclosed
CN-1229082-A Amine compound and its acid addition salt ROUSSEL UCLAF (FR) 1999-09-22 CN disclosed
CN-1151746-A Novel erythromycin derivatives, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 1997-06-11 CN disclosed