SCHEMBL16554362

SCHEMBL16554362

O=C(O)c1ccc(F)c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
ALOX15 P16050 1/20 0.55
SRD5A2 P31213 3/20 0.53
CDH1 P12830 1/20 0.51
APC P25054 1/20 0.51
CTNNB1 P35222 1/20 0.51
TCF7L2 Q9NQB0 1/20 0.51
AURKA O14965 1/20 0.51
TPX2 Q9ULW0 1/20 0.51
MAP4K4 O95819 2/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
SRD5A1 P18405 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
FASN P49327 1/20 0.46
BCL2L1 Q07817 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
SCHEMBL6224208 0.88 RARB (0.56) TSHRALOX15SRD5A2CDH1APC
SCHEMBL3215926 0.86 KMO (0.52) MAP4K4KDM4ELMNAHSD17B10BCL2L1
SCHEMBL16554472 0.85 PTGER1 (0.52) KMT2AKDM4EPOLBTTR
SCHEMBL2555397 0.84 MAPT (0.48) RXRARXRBMEN1KMT2AKDM4E
SCHEMBL14273027 0.82 TSHR (0.55) TSHRALOX15SRD5A2CDH1APC
SCHEMBL2560576 0.81 ALDH1A1 (0.56) KDM4ELMNAHSD17B10BCL2L1BAD
SCHEMBL6224543 0.81 SRD5A2 (0.64) TSHRALOX15SRD5A2MAP4K4RXRA
SCHEMBL2744832 0.80 SLC22A12 (0.56) MAP4K4KDM4ELMNAHSD17B10
SCHEMBL22442333 0.80 ERN1 (0.52) TSHRALOX15KDM4ELMNAHSD17B10
SCHEMBL31038313 0.80 CA1 (0.58) MAP4K4RXRAMEN1KMT2AKDM4E

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-2015034271-A1 NOVEL ANTIFUNGAL PYRIDINYLHYDRAZIDE DERIVATIVES DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-03-12 WO disclosed