SCHEMBL439148

SCHEMBL439148

Cc1cc(Br)c2nccc(N)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.40
SOS2 Q07890 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
APAF1 O14727 1/20 0.39
TDP2 O95551 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
NSD2 O96028 1/20 0.36
CASP6 P55212 1/20 0.36
NCF1 P14598 1/20 0.36
CCR1 P32246 2/20 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
SCHEMBL10008628 0.79 NR4A2 (0.56) NR4A2SOS2MEN1KMT2AALDH1A1
SCHEMBL31392519 0.79 KDM4E (0.39) NR4A2MEN1KMT2AALDH1A1MAPT
SCHEMBL4876537 0.76 NSD2 (0.41) ALDH1A1MAPTNSD2CASP6SMN1; SMN2
SCHEMBL442160 0.75 NR4A2 (0.40) NR4A2SOS2MEN1KMT2AAPAF1
SCHEMBL438506 0.73 NR4A2 (0.44) NR4A2SOS2MEN1KMT2AAPAF1
SCHEMBL438361 0.73 ALDH1A1 (0.36) KMT2AALDH1A1MAPTKDM4ENOS3
SCHEMBL442131 0.73 NR4A2 (0.45) NR4A2MEN1KMT2AALDH1A1MAPT
SCHEMBL440408 0.72 NR4A2 (0.61) NR4A2MEN1KMT2AAPAF1TDP2
SCHEMBL437542 0.69 KDM4E (0.33) KMT2AALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL439581 0.68 ACHE (0.51) MEN1KMT2AALDH1A1MAPTKDM4E

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