SCHEMBL3978690

SCHEMBL3978690

CC(=O)Nc1c(Br)cccc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
RIPK1 Q13546 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NLRP3 Q96P20 3/20 0.44
LPAR1 Q92633 2/20 0.44
MEN1 O00255 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SOAT1 P35610 2/20 0.43
GAA P10253 1/20 0.42
SOAT2 O75908 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL1726368 0.87 KMT2A (0.62) KMT2ALMNASMN1; SMN2NLRP3LPAR1
SCHEMBL21807836 0.83 RXFP1 (0.48) SMN1; SMN2GAA
SCHEMBL16203606 0.81 KMT2A (0.79) KMT2ARIPK1LMNASMN1; SMN2MEN1
SCHEMBL24575431 0.79 KMT2A (0.54) KMT2ALMNASMN1; SMN2NLRP3LPAR1
SCHEMBL22158291 0.78 RXFP1 (0.44) KMT2ASMN1; SMN2MEN1GAAMAPK1
SCHEMBL13925886 0.78 SMN1; SMN2 (0.53) KMT2ALMNASMN1; SMN2NLRP3MEN1
SCHEMBL11660078 0.77 LPAR1 (0.43) KMT2ARIPK1LMNASMN1; SMN2NLRP3
SCHEMBL9187652 0.77 ALDH1A1 (0.50) KMT2ALMNASMN1; SMN2MEN1GAA
Acetic Acid SCHEMBL25282411 0.76 KMT2A (0.54) KMT2ALMNASMN1; SMN2NLRP3LPAR1
SCHEMBL13556567 0.76 KMT2A (0.46) KMT2ALMNASMN1; SMN2NLRP3LPAR1

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
WO-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 WO disclosed