SCHEMBL20923957

SCHEMBL20923957

COc1cccc(-c2ccc(C3CC3)nc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
CLK4 Q9HAZ1 2/20 0.47
DYRK1A Q13627 1/20 0.47
FYN P06241 3/20 0.47
KDM1A O60341 1/20 0.47
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
EGLN1 Q9GZT9 1/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 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
SCHEMBL16838740 0.83 NOTUM (0.46) PDGFRBPDGFRACLK4DYRK1A
SCHEMBL15136353 0.82 KDM1A (0.63) PDGFRBPDGFRACLK4DYRK1AFYN
SCHEMBL7694556 0.82 KDM1A (0.63) PDGFRBPDGFRACLK4DYRK1AFYN
SCHEMBL527143 0.82 KDM1A (0.63) PDGFRBPDGFRACLK4DYRK1AFYN
SCHEMBL15137194 0.82 KDM1A (0.63) PDGFRBPDGFRACLK4DYRK1AFYN
SCHEMBL527144 0.82 KDM1A (0.63) PDGFRBPDGFRACLK4DYRK1AFYN
Hydrochloric Acid SCHEMBL527781 0.81 KDM1A (0.62) PDGFRBPDGFRACLK4DYRK1AFYN
Hydrochloric Acid SCHEMBL527780 0.81 KDM1A (0.62) PDGFRBPDGFRACLK4DYRK1AFYN
SCHEMBL23601916 0.80 NOTUM (0.44) KDM1AMAP4K4
SCHEMBL20923972 0.77 HSD17B1 (0.63) DYRK1AFYNKDM1ACYP1A2CYP3A4

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-2598480-B1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS LSD1 INHIBITORS ORYZON GENOMICS SA (ES) 2019-04-24 EP disclosed