SCHEMBL6960873

SCHEMBL6960873

[CH2]NC(=O)c1cccc(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.59
SMN1; SMN2 Q16637 5/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
NPC1 O15118 4/20 0.54
ALDH1A1 P00352 5/20 0.54
MAPT P10636 3/20 0.54
RAB9A P51151 3/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51

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
SCHEMBL17236166 0.83 SMN1; SMN2 (0.77) PARP1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL17336774 0.83 KDM4E (0.64) PARP1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL31305679 0.83 KDM4E (0.64) PARP1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL401199 0.80 L3MBTL1 (0.64) PARP1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL15281674 0.80 L3MBTL1 (0.59) PARP1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL31325120 0.80 L3MBTL1 (0.59) PARP1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL265872 0.80 HDAC8 (0.69) PARP1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL28062202 0.80 L3MBTL1 (0.59) PARP1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL4652925 0.78 SMN1; SMN2 (0.71) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C19
SCHEMBL17336679 0.78 SMN1; SMN2 (0.64) PARP1L3MBTL1SMN1; SMN2MEN1KMT2A

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed