SCHEMBL6768302

SCHEMBL6768302

Oc1ccc(-c2nn(-c3ccc(OCl)cc3)c(-c3ccc(O)cc3)c2-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.46
MAPT P10636 5/20 0.46
TP53 P04637 4/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GMNN O75496 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX12 P18054 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL5214926 0.89 ESR1 (0.55) ESR1MAPTTP53KMT2AKDM4E
SCHEMBL5215998 0.86 KMT2A (0.51) ESR1MAPTTP53KMT2AKDM4E
SCHEMBL5221501 0.85 KMT2A (0.49) ESR1MAPTTP53KMT2AKDM4E
SCHEMBL5215949 0.85 KMT2A (0.52) ESR1MAPTTP53KMT2AKDM4E
SCHEMBL5218111 0.84 ESR1 (0.43) ESR1MAPTTP53KMT2AKDM4E
SCHEMBL5213728 0.83 ESR1 (0.60) ESR1MAPTTP53KMT2AKDM4E
SCHEMBL5214655 0.83 SRC (0.50) ESR1MAPTTP53KMT2AKDM4E
SCHEMBL5216990 0.83 KMT2A (0.52) ESR1MAPTTP53KMT2AKDM4E
SCHEMBL5217342 0.83 ESR1 (0.49) ESR1MAPTTP53KMT2AKDM4E
SCHEMBL5215559 0.80 NPSR1 (0.53) ESR1MAPTTP53KMT2AKDM4E

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-6727273-B2 THERAPY FOR OSTEOPOROSIS, ANTICANCER AGENTS CHIRON CORPORATION 2004-04-27 US disclosed