SCHEMBL8023947

SCHEMBL8023947

COc1ccc(-c2ccc(CO)c(C)c2)nc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.48
RXFP1 Q9HBX9 1/20 0.43
CBFB Q13951 1/20 0.43
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
TNKS O95271 1/20 0.41
CASP3 P42574 3/20 0.41
SENP7 Q9BQF6 3/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
P2RX7 Q99572 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
S1PR1 P21453 1/20 0.39
FYN P06241 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 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
SCHEMBL3994452 0.80 RAB9A (0.47) PTGER4CYP11B1CYP11B2CASP3SENP7
SCHEMBL8007166 0.79 P2RX7 (0.44) P2RX7S1PR1
SCHEMBL8007163 0.77 CASP3 (0.56) PTGER4RXFP1CBFBCYP11B1CYP11B2
SCHEMBL7941960 0.76 P2RX7 (0.46) P2RX7NPC1RAB9AKDM4ES1PR1
SCHEMBL8028548 0.76 KDM4E (0.47) P2RX7KDM4EALDH1A1
SCHEMBL3127408 0.76 ALDH1A1 (0.47) CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL3466792 0.76 CYP11B1 (0.49) PTGER4RXFP1CYP11B1CYP11B2TNKS
SCHEMBL16675774 0.75 FYN (0.58) CBFBCYP11B1CYP11B2FYN
SCHEMBL7946481 0.75 CYP11B1 (0.48) PTGER4CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL18848885 0.75 TNKS (0.44) PTGER4RXFP1CYP11B1CYP11B2TNKS

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
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed