SCHEMBL10691918

SCHEMBL10691918

COc1ncc2[nH]c(-c3cc(S(N)(=O)=O)c(OC)cc3OC)nc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.38
PDE2A O00408 1/20 0.37
PDE5A O76074 4/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
AURKA O14965 1/20 0.34
CA12 O43570 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL10690472 0.84 PDE2A (0.43) PDE2APDE5APDE3BPDE3AKDM4E
SCHEMBL10688273 0.82 PDE2A (0.35) PDE2APDE5APDE3BPDE3AKDM4E
SCHEMBL10691911 0.82 PKM (0.38) PKMPDE5APDE3BPDE3ACYP1A2
SCHEMBL10686159 0.80 AURKA (0.35) PDE2APDE5APDE3BPDE3AKDM4E
SCHEMBL10681085 0.78 METAP2 (0.41) PKMPDE2APDE5APDE3BPDE3A
Water SCHEMBL10868986 0.76 PDE2A (0.47) PDE2APDE5APDE3BPDE3AKDM4E
Water SCHEMBL10869421 0.76 PDE2A (0.47) PDE2APDE5APDE3BPDE3AKDM4E
SCHEMBL10690580 0.75 PDE2A (0.64) PDE2APDE5APDE3BPDE3AKDM4E
SCHEMBL10689043 0.74 PDE2A (0.47) PDE2APDE5APDE3BPDE3AKDM4E
SCHEMBL10690518 0.74 AMY1A (0.47) PDE2APDE5APDE3BPDE3AKDM4E

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-4722929-A Novel 2-phenyl-imidazoles and pharmaceutical compositions containing same DR. KARL THOMAE GMBH (DE) 1988-02-02 US disclosed
EP-0149200-A1 Novel 2-pnenyl-imidazoles, their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1985-07-24 EP disclosed