SCHEMBL5508798

SCHEMBL5508798

[CH2]C=CCc1cnc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.47
PDGFRA P16234 2/20 0.47
CYP1A2 P05177 2/20 0.44
RAB9A P51151 1/20 0.42
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MGAM O43451 1/20 0.40
ALDH1A1 P00352 2/20 0.40
PDE10A Q9Y233 5/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL4819350 1.00 PDGFRB (0.47) PDGFRBPDGFRACYP1A2RAB9AKDM1A
SCHEMBL4814522 0.84 PDGFRB (0.45) PDGFRBPDGFRACYP1A2RAB9AKDM1A
SCHEMBL27579596 0.83 PDGFRB (0.47) PDGFRBPDGFRACYP1A2RAB9AKDM1A
SCHEMBL27513241 0.83 PDGFRB (0.47) PDGFRBPDGFRACYP1A2RAB9AKDM1A
SCHEMBL27514595 0.83 PDGFRB (0.47) PDGFRBPDGFRACYP1A2RAB9AKDM1A
SCHEMBL28751294 0.83 PDGFRB (0.47) PDGFRBPDGFRACYP1A2RAB9AKDM1A
SCHEMBL4815367 0.83 PDGFRB (0.50) PDGFRBPDGFRACYP1A2RAB9AKDM1A
SCHEMBL273345 0.81 PDGFRB (0.51) PDGFRBPDGFRACYP1A2RAB9AKDM1A
SCHEMBL4815350 0.79 PDGFRB (0.50) PDGFRBPDGFRACYP1A2RAB9AKDM1A
SCHEMBL28879834 0.79 PDGFRB (0.50) PDGFRBPDGFRACYP1A2RAB9AKDM1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39836-E1 Macrolide antinfective agents KOSAN BIOSCIENCES, INC. (US) 2007-09-11 US claimed
US-6593302-B2 Antibiotics KOSAN BIOSCIENCES, INC. 2003-07-15 US claimed