SCHEMBL438506

SCHEMBL438506

Cc1c(Br)ccc2c(N)ccnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
APAF1 O14727 1/20 0.43
TDP2 O95551 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
CCR1 P32246 3/20 0.41
CCR5 P51681 3/20 0.41
CCR8 P51685 3/20 0.41
AXL P30530 1/20 0.38
NCF1 P14598 1/20 0.37
HSP90AA1 P07900 4/20 0.37
HSP90AB1 P08238 2/20 0.37
IDO1 P14902 1/20 0.37
PSMB5 P28074 1/20 0.37

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
SCHEMBL13943231 0.81 CCR1 (0.65) MEN1KMT2AAPAF1TDP2ALDH1A1
SCHEMBL15011055 0.78 CCR1 (0.41) NR4A2MEN1KMT2AAPAF1TDP2
SCHEMBL15010895 0.78 CCR1 (0.41) MEN1KMT2AAPAF1TDP2ALDH1A1
SCHEMBL1071707 0.77 NR4A2 (0.59) NR4A2MEN1KMT2AAPAF1TDP2
SCHEMBL4390960 0.75 NR4A2 (0.57) NR4A2MEN1KMT2AAPAF1TDP2
SCHEMBL439739 0.74 CCR1 (0.39) MEN1KMT2AAPAF1TDP2ALDH1A1
SCHEMBL440408 0.73 NR4A2 (0.61) NR4A2MEN1KMT2AAPAF1TDP2
SCHEMBL438193 0.73 NR4A2 (0.51) NR4A2MEN1KMT2AALDH1A1MAPT
SCHEMBL439148 0.73 NR4A2 (0.40) NR4A2MEN1KMT2AAPAF1TDP2
SCHEMBL18370996 0.72 NOS2 (0.45) MEN1KMT2AAPAF1TDP2ALDH1A1

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