SCHEMBL13846196

SCHEMBL13846196

COc1ccc(-c2nnn(C)n2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
ALDH1A1 P00352 5/20 0.54
ATM Q13315 1/20 0.54
HPGD P15428 1/20 0.53
POLB P06746 1/20 0.53
ACLY P53396 1/20 0.52
LMNA P02545 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 1/20 0.50
TRPV1 Q8NER1 1/20 0.49
LRRK2 Q5S007 1/20 0.48
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TACR1 P25103 1/20 0.46
BRD4 O60885 1/20 0.46
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6609492 0.89 ACLY (0.49) MAPTALDH1A1ATMHPGDPOLB
SCHEMBL8211774 0.87 HRH4 (0.49) MAPTALDH1A1ATMHPGDPOLB
SCHEMBL8169729 0.87 ACLY (0.48) MAPTALDH1A1ATMHPGDPOLB
SCHEMBL15652281 0.87 ALDH1A1 (0.56) MAPTALDH1A1ATMHPGDPOLB
SCHEMBL3595986 0.84 TACR1 (0.50) MAPTALDH1A1ATMHPGDPOLB
SCHEMBL5190700 0.84 ACLY (0.48) MAPTALDH1A1ATMHPGDPOLB
SCHEMBL3592777 0.84 TACR1 (0.50) MAPTALDH1A1ATMHPGDPOLB
SCHEMBL3582974 0.81 ACLY (0.49) MAPTALDH1A1HPGDPOLBACLY
SCHEMBL5192240 0.79 LTA4H (0.64) MAPTALDH1A1HPGDLMNATP53
SCHEMBL13846213 0.77 MAPK1 (0.61) MAPTALDH1A1HPGDPOLBACLY

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-2009063365-A1 AZETIDINES AS EP2 ANTAGONISTS PFIZER LIMITED (GB) 2009-05-22 WO disclosed