SCHEMBL14543732

SCHEMBL14543732

O=CC1CN(C(=O)c2ccccc2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 1/20 0.47
PRKACG P22612 1/20 0.47
PRKACB P22694 1/20 0.47
P2RY1 P47900 1/20 0.46
CACNA1G O43497 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.44
NOTUM Q6P988 1/20 0.42
POLB P06746 1/20 0.41
SIRT3 Q9NTG7 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
P2RX4 Q99571 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL14543698 0.81 NOTUM (0.64) HTTNOTUM
SCHEMBL28162635 0.79 PRKACA (0.45) PRKACAPRKACGPRKACBP2RY1CACNA1G
SCHEMBL9326653 0.78 PRKACA (0.59) PRKACAPRKACGPRKACBP2RY1CACNA1G
SCHEMBL27835989 0.77 CPS1 (0.41) PRKACAPRKACGPRKACBP2RY1CACNA1G
SCHEMBL8479255 0.77 ALDH1A1 (0.50) PRKACAPRKACGPRKACBP2RY1CACNA1G
SCHEMBL27765328 0.73 CACNA1G (0.42) PRKACAPRKACGPRKACBP2RY1CACNA1G
SCHEMBL8265211 0.73 NOTUM (0.43) ALDH1A1NOTUMTSHRSMN1; SMN2MEN1
SCHEMBL8263920 0.73 POLB (0.38) CACNA1GALDH1A1NOTUMPOLBCYP2C9
SCHEMBL27853991 0.73 MGLL (0.44) ALDH1A1HTTNOTUM
SCHEMBL28793814 0.72 NOTUM (0.44) PRKACAPRKACGPRKACBP2RY1CACNA1G

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-7202265-B2 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. (US) 2007-04-10 US disclosed