SCHEMBL22819552

SCHEMBL22819552

CCN1CCC2CCC2CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
GNAI3 P08754 4/20 0.43
GNAO1 P09471 4/20 0.43
GNAI1 P63096 4/20 0.43
HSD11B1 P28845 2/20 0.40
KDM4E B2RXH2 1/20 0.38
HRH3 Q9Y5N1 2/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL6921678 1.00 SMN1; SMN2 (0.48) SMN1; SMN2GNAI3GNAO1GNAI1HSD11B1
SCHEMBL24891256 0.90 HSD11B1 (0.46) SMN1; SMN2GNAI3GNAO1GNAI1HSD11B1
SCHEMBL13548814 0.89 SMN1; SMN2 (0.45) SMN1; SMN2GNAI3GNAO1GNAI1HSD11B1
SCHEMBL13179250 0.88 SMN1; SMN2 (0.41) SMN1; SMN2GNAI3GNAO1GNAI1HSD11B1
SCHEMBL13462652 0.87 GNAI3 (0.59) SMN1; SMN2GNAI3GNAO1GNAI1HSD11B1
SCHEMBL10080978 0.87 GNAI3 (0.39) SMN1; SMN2GNAI3GNAO1GNAI1HSD11B1
SCHEMBL7733573 0.87 HSD11B1 (0.47) SMN1; SMN2GNAI3GNAO1GNAI1HSD11B1
SCHEMBL19416662 0.86 SMN1; SMN2 (0.46) SMN1; SMN2GNAI3GNAO1GNAI1HSD11B1
SCHEMBL27268804 0.85 SMN1; SMN2 (0.42) SMN1; SMN2GNAI3GNAO1GNAI1HSD11B1
SCHEMBL22737188 0.84 SMN1; SMN2 (0.38) SMN1; SMN2GNAI3GNAO1GNAI1HSD11B1

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-2020257143-A1 PYRAZOLOPYRIMIDINE ARYL ETHER INHIBITORS OF JAK KINASES AND USES THEREOF GENENTECH, INC. (US) 2020-12-24 WO disclosed