SCHEMBL442133

SCHEMBL442133

Nc1c(Br)cnc2c(Br)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.41
HAVCR2 Q8TDQ0 1/20 0.39
MEN1 O00255 1/20 0.38
APAF1 O14727 1/20 0.38
TDP2 O95551 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
CASP3 P42574 1/20 0.38
KMT2A Q03164 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
PLAU P00749 2/20 0.36
CTSB P07858 1/20 0.36
ADORA1 P30542 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
CLK1 P49759 2/20 0.33
CDK5 Q00535 2/20 0.33
CDK5R1 Q15078 2/20 0.33

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
SCHEMBL437767 0.83 HAVCR2 (0.46) BACE1HAVCR2MEN1APAF1TDP2
SCHEMBL435823 0.83 PARP1 (0.41) HAVCR2MEN1APAF1TDP2ALDH1A1
SCHEMBL441951 0.83 HAVCR2 (0.58) HAVCR2MEN1APAF1TDP2ALDH1A1
SCHEMBL441701 0.83 ALDH1A1 (0.43) HAVCR2MEN1APAF1TDP2ALDH1A1
SCHEMBL440370 0.79 PARP1 (0.45) CDK5AXLGSK3BDYRK1A
SCHEMBL435849 0.79 HTR1A (0.44) EGFR
SCHEMBL437613 0.79 GABRA1 (0.41) HAVCR2MEN1APAF1TDP2ALDH1A1
SCHEMBL28310895 0.78 HAVCR2 (0.52) HAVCR2KMT2A
SCHEMBL437026 0.78 HAVCR2 (0.68) HAVCR2KMT2ANR4A2
SCHEMBL28310894 0.76 PABPC1 (0.36) BACE1HAVCR2MEN1APAF1TDP2

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