SCHEMBL9703633

SCHEMBL9703633

COc1scc(C)c1-c1nc2cc3c(=O)[nH]c(C)c(C)c3cc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.36
FGFR1 P11362 2/20 0.36
KDR P35968 2/20 0.36
AMY1A P0DUB6 7/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
METAP1 P53582 1/20 0.32
LCK P06239 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KIT P10721 1/20 0.30
DGAT1 O75907 1/20 0.30
TYMS P04818 1/20 0.30

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
SCHEMBL9379210 0.75 NPC1 (0.55) PDE3BPDE3ANPC1RAB9AKDM4E
SCHEMBL9385441 0.73 NPC1 (0.53) PDE3BPDE3ANPC1RAB9AKDM4E
SCHEMBL10477969 0.73 PDE4A (0.51) PDGFRBFGFR1KDRAMY1APDE3B
SCHEMBL10700314 0.73 AMY1A (0.48) PDGFRBFGFR1KDRAMY1APDE3B
SCHEMBL10917045 0.71 AMY1A (0.33) AMY1AMETAP1KDM4E
Hydrochloric Acid SCHEMBL10743666 0.70 AMY1A (0.33) AMY1AMETAP1KDM4E
SCHEMBL9703307 0.70 PDE4A (0.34) PDGFRBFGFR1KDRAMY1APDE3B
SCHEMBL9703617 0.69 AMY1A (0.42) AMY1APDE3BPDE3ANPC1RAB9A
SCHEMBL9703323 0.69 CDK4 (0.47) AMY1APDE3BPDE3A
SCHEMBL10576345 0.69 SCN10A (0.38) FGFR1KDRNPC1RAB9ALCK

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-5116843-A Anticoagulants, hypotensive agents and cardiovascular disorder BOEHRINGER MANNHEIM GMBH (DE) 1992-05-26 US disclosed