SCHEMBL439576

SCHEMBL439576

Cc1cc(N)c2c(Cl)cc(Cl)cc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.54
NCF1 P14598 1/20 0.46
POLB P06746 3/20 0.41
MAPT P10636 3/20 0.40
HSP90AA1 P07900 3/20 0.39
HSP90AB1 P08238 1/20 0.39
LMNA P02545 2/20 0.37
CASP6 P55212 2/20 0.36
KMT2A Q03164 2/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
APAF1 O14727 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
UBE2N P61088 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 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
SCHEMBL14712693 0.81 POLB (0.52) NR4A2POLBMAPTLMNAKMT2A
SCHEMBL28842256 0.78 POLB (0.41) NR4A2POLBMAPTHSP90AA1LMNA
SCHEMBL441901 0.75 MCHR1 (0.43) POLBMAPTLMNABCHEACHE
SCHEMBL9391555 0.73 NQO2 (0.40) KMT2A
SCHEMBL1615754 0.72 ALDH1A1 (0.46) POLBMAPTKMT2AMAPK1ALDH1A1
SCHEMBL29617388 0.72 ALDH1A1 (0.46) POLBMAPTKMT2AMAPK1ALDH1A1
SCHEMBL8436758 0.72 KMT2A (0.42) POLBMAPTLMNAKMT2AAPAF1
SCHEMBL8946324 0.72 NQO2 (0.61) MAPTKMT2AKDM4EALDH1A1
SCHEMBL437497 0.70 NR4A2 (0.62) NR4A2NCF1MAPTHSP90AA1HSP90AB1
SCHEMBL438119 0.70 NR4A2 (1.00) NR4A2NCF1POLBMAPTHSP90AA1

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-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed