SCHEMBL21651001

SCHEMBL21651001

COc1cccc(OC)c1CN1CCCN(C)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
CHKA P35790 6/20 0.54
CA2 P00918 1/20 0.53
NCF1 P14598 1/20 0.53
PRMT6 Q96LA8 1/20 0.53
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 2/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
HRH2 P25021 1/20 0.47
DRD3 P35462 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL10210891 0.85 MEN1 (0.56) POLBMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL6495394 0.77 MAPK1 (0.49) POLBMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL14024217 0.76 KDM4E (0.50) POLBMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL10212378 0.76 MAPK1 (0.63) POLBMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL6483885 0.76 MAPK1 (0.48) POLBMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL13559793 0.76 SIGMAR1 (0.65) MEN1KMT2AKDM4EDRD2DRD4
SCHEMBL807356 0.75 MAPK1 (0.62) POLBMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL3183661 0.75 KDM4E (0.60) POLBMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL12316779 0.75 MEN1 (0.85) POLBMEN1KMT2ACHKAKDM4E
SCHEMBL19869938 0.74 GAA (0.67) POLBMEN1KMT2AKDM4EDRD2

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
EP-3241554-B1 QUINOLINE-8-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY AGIOS PHARMACEUTICALS INC (US) 2020-01-29 EP disclosed