SCHEMBL5099332

SCHEMBL5099332

Cc1cc(C)cc(OCBr)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
MAOA P21397 1/20 0.41
SLC6A2 P23975 1/20 0.41
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL5725587 0.80 TP53 (0.46) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL15464534 0.78 TP53 (0.49) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL27967714 0.78 TPMT (0.55) SMN1; SMN2KMT2AMEN1POLB
SCHEMBL5929477 0.78 TP53 (0.52) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL1721377 0.77 ACHE (0.56) TDP1LMNAKMT2AKDM4E
SCHEMBL150433 0.76 NQO1 (0.52) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL14365499 0.75 TP53 (0.54) ALDH1A1MAOATP53ALOX15KMT2A
SCHEMBL107464 0.74 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL2094942 0.74 TP53 (0.48) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL2546032 0.74 DRD2 (0.48) TDP1HPGDMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371755-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2008-05-13 US disclosed
EP-1214317-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2002-06-19 EP disclosed
WO-2001019822-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2001-03-22 WO disclosed