SCHEMBL29957442

SCHEMBL29957442

CC(C)c1nn(-c2cccc(C#N)c2)c(Cl)c1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
MDM4 O15151 1/20 0.37
MDM2 Q00987 1/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
PLK1 P53350 1/20 0.37
NSD2 O96028 1/20 0.36
GRM5 P41594 1/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
MAT2A P31153 2/20 0.35
GLA P06280 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL15331426 0.91 NPBWR1 (0.38) PIK3CDNPBWR1MCHR1MDM4MDM2
SCHEMBL29954155 0.85 MAPT (0.38) MDM4MDM2MAPTALDH1A1SMN1; SMN2
SCHEMBL15330699 0.85 KMT2A (0.45) MAPTALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL15330475 0.84 KMT2A (0.45) NPBWR1MCHR1MAPTALDH1A1SMN1; SMN2
SCHEMBL2553728 0.83 NPBWR1 (0.42) PIK3CDNPBWR1MCHR1MAPTALDH1A1
SCHEMBL15330943 0.81 DHODH (0.41) PIK3CDMAPTMEN1KMT2A
SCHEMBL2558320 0.81 NPBWR1 (0.37) NPBWR1MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL15332201 0.81 NPBWR1 (0.40) NPBWR1MCHR1MAPTALDH1A1SMN1; SMN2
SCHEMBL29956884 0.81 SMN1; SMN2 (0.47) MAPTALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL15332268 0.79 DRD2 (0.39) NPBWR1MCHR1MAPTALDH1A1SMN1; SMN2

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed