SCHEMBL11570903

SCHEMBL11570903

O=C(O)CC(CCc1ccccn1)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 1/20 0.46
PTPRA P18433 1/20 0.45
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.41
HRH1 P35367 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
FFAR1 O14842 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
KCNA5 P22460 2/20 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
SCHEMBL6569899 0.84 ALDH1A1 (0.50) SMN1; SMN2CYP1A2CYP2C19PTPRALMNA
Hydrochloric Acid SCHEMBL6569465 0.82 ALDH1A1 (0.49) SMN1; SMN2CYP1A2CYP2C19PTPRALMNA
SCHEMBL6532234 0.79 SMN1; SMN2 (0.51) SMN1; SMN2CYP1A2CYP2C19PTPRALMNA
SCHEMBL21632111 0.78 GABBR2 (0.59) CYP1A2CYP2C19LMNAALDH1A1TSHR
SCHEMBL12408231 0.78 CYP1A2 (0.53) SMN1; SMN2CYP1A2CYP2C19LMNAALDH1A1
SCHEMBL7205140 0.78 PTPRA (0.57) SMN1; SMN2CYP1A2CYP2C19PTPRALMNA
SCHEMBL14066328 0.77 SLC6A2 (0.46) CYP1A2CYP2C19LMNAALDH1A1HRH1
SCHEMBL7075416 0.76 PTPRA (0.59) SMN1; SMN2CYP1A2CYP2C19PTPRALMNA
SCHEMBL25152374 0.76 ALDH1A1 (0.47) SMN1; SMN2CYP1A2CYP2C19LMNAALDH1A1
SCHEMBL12381982 0.75 ALDH1A1 (0.40) SMN1; SMN2CYP1A2CYP2C19LMNAALDH1A1

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
US-4153795-A Cobalt pyridyl catalysts for hydroformylation DIRECTOR-GENERAL OF THE AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1979-05-08 US claimed