SCHEMBL28256458

SCHEMBL28256458

COc1ccc(CN2C=CCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.49
PTGIR P43119 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HRH3 Q9Y5N1 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
CMA1 P23946 1/20 0.45
CHKA P35790 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 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
SCHEMBL28932541 0.83 SIGMAR1 (0.51) SIGMAR1PTGIRSMN1; SMN2HRH3KDM4E
SCHEMBL15429645 0.75 CMA1 (0.58) SIGMAR1PTGIRSMN1; SMN2HRH3KDM4E
SCHEMBL10645192 0.75 TBXAS1 (0.52) ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL2530335 0.74 CMA1 (0.56) SIGMAR1PTGIRSMN1; SMN2KDM4EALDH1A1
SCHEMBL28134336 0.73 LMNA (0.36) SMN1; SMN2HRH3KDM4EALDH1A1ALOX15
SCHEMBL28202883 0.73 SIGMAR1 (0.44) SIGMAR1PTGIRSMN1; SMN2HRH3KDM4E
SCHEMBL28839843 0.72 SIGMAR1 (0.46) SIGMAR1PTGIRSMN1; SMN2KDM4EALDH1A1
SCHEMBL3171551 0.72 PTGIR (0.81) SIGMAR1PTGIRSMN1; SMN2HRH3KDM4E
SCHEMBL28048490 0.72 PTGIR (0.75) SIGMAR1PTGIRSMN1; SMN2HRH3KDM4E
SCHEMBL1045927 0.72 PTGIR (0.75) SIGMAR1PTGIRSMN1; SMN2HRH3KDM4E

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
CN-105658646-B Aminoheteroaryl benzamide as kinase inhibitor 诺华股份有限公司 2018-11-27 CN disclosed