SCHEMBL29956884

SCHEMBL29956884

CC(C)c1nn(-c2ccccc2)c(Cl)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.47
MAPT P10636 8/20 0.45
ALDH1A1 P00352 8/20 0.45
LMNA P02545 7/20 0.45
NPSR1 Q6W5P4 3/20 0.45
RECQL P46063 2/20 0.45
MAPK1 P28482 4/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 4/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
GAA P10253 2/20 0.40
KDM4C Q9H3R0 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL29956310 0.88 SMN1; SMN2 (0.43) SMN1; SMN2MAPTALDH1A1LMNANPSR1
SCHEMBL15332765 0.88 PPARA (0.43) SMN1; SMN2MAPTALDH1A1LMNANPSR1
SCHEMBL15330699 0.87 KMT2A (0.45) SMN1; SMN2MAPTALDH1A1LMNANPSR1
SCHEMBL15332190 0.87 MAPT (0.41) SMN1; SMN2MAPTALDH1A1LMNANPSR1
SCHEMBL15330694 0.87 SMN1; SMN2 (0.34) SMN1; SMN2MAPTALDH1A1LMNANPSR1
SCHEMBL15330526 0.85 PPARA (0.40) SMN1; SMN2MAPTALDH1A1LMNANPSR1
SCHEMBL15331486 0.85 PPARA (0.42) SMN1; SMN2MAPTALDH1A1LMNANPSR1
SCHEMBL2553728 0.85 NPBWR1 (0.42) SMN1; SMN2MAPTALDH1A1LMNANPSR1
SCHEMBL2558320 0.84 NPBWR1 (0.37) SMN1; SMN2MAPTALDH1A1LMNANPSR1
SCHEMBL15330943 0.84 DHODH (0.41) MAPTLMNATP53KMT2AMEN1

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