SCHEMBL9912425

SCHEMBL9912425

BCC(=O)c1ccc(C)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
RAB9A P51151 10/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
NPC1 O15118 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRB2 P47870 1/20 0.44
PKM P14618 2/20 0.42
ALOX15 P16050 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
CDK5 Q00535 1/20 0.41

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
SCHEMBL20365768 0.83 ALDH1A1 (0.67) HPGDRAB9AMEN1KMT2AKDM4E
SCHEMBL14043819 0.81 HPGD (0.50) HPGDRAB9AMEN1KMT2AKDM4E
SCHEMBL846655 0.81 HPGD (0.50) HPGDRAB9AMEN1KMT2AKDM4E
SCHEMBL5954815 0.81 HPGD (0.50) HPGDRAB9AMEN1KMT2AKDM4E
SCHEMBL14325064 0.81 ALDH1A1 (0.69) HPGDMEN1KMT2AKDM4ELMNA
SCHEMBL11222598 0.80 HPGD (0.49) HPGDRAB9AMEN1KMT2AKDM4E
SCHEMBL23070442 0.78 HPGD (0.53) HPGDRAB9AMEN1KMT2AALDH1A1
SCHEMBL14683972 0.78 MEN1 (0.42) HPGDRAB9AMEN1KMT2AKDM4E
SCHEMBL20367164 0.77 MEN1 (0.62) HPGDRAB9AMEN1KMT2AKDM4E
SCHEMBL845424 0.76 GABRA1 (0.53) HPGDRAB9AMEN1KMT2AALDH1A1

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-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
WO-2010135536-A2 METHODS OF MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2010-11-25 WO disclosed
WO-2010135530-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2010-11-25 WO disclosed