SCHEMBL442160

SCHEMBL442160

Cc1cc(Br)cc2c(N)ccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.40
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
NQO2 P16083 1/20 0.39
PRMT5 O14744 1/20 0.38
NSD2 O96028 1/20 0.36
CASP6 P55212 1/20 0.36
NCF1 P14598 1/20 0.36
SOS2 Q07890 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
APAF1 O14727 1/20 0.35
TDP2 O95551 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 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
SCHEMBL20600750 0.83 CCR1 (0.54) CCR1CCR5CCR8NQO2PRMT5
SCHEMBL29847528 0.83 CCR1 (0.54) CCR1CCR5CCR8NQO2PRMT5
SCHEMBL731409 0.79 HTT (0.40) CCR1CCR5CCR8NQO2MEN1
SCHEMBL730007 0.79 CCR1 (0.39) NR4A2CCR1CCR5CCR8NQO2
SCHEMBL27185251 0.76 EGFR (0.43) NQO2NSD2CASP6ALDH1A1MAPT
SCHEMBL439148 0.75 NR4A2 (0.40) NR4A2CCR1CCR5CCR8NSD2
SCHEMBL24532133 0.73 KDM4E (0.46) MEN1KMT2AALDH1A1MAPTPARP4
SCHEMBL29681293 0.73 KDM4E (0.46) MEN1KMT2AALDH1A1MAPTPARP4
SCHEMBL22715874 0.73 PDE5A (0.44) NQO2ALDH1A1MAPTPARP1PARP2
SCHEMBL442077 0.73 NR4A2 (0.45) NR4A2NQO2NCF1MEN1KMT2A

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