SCHEMBL5149995

SCHEMBL5149995

N#Cc1ccc(-n2ccc(C=O)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
NOTUM Q6P988 1/20 0.39
MAPKAPK2 P49137 1/20 0.35
OPRM1 P35372 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CYP19A1 P11511 1/20 0.35
AR P10275 2/20 0.34
ELOVL1 Q9BW60 1/20 0.34
EP300 Q09472 1/20 0.34
KDM4E B2RXH2 2/20 0.34
TP53 P04637 1/20 0.34
P2RX7 Q99572 1/20 0.34
ELANE P08246 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL17966634 0.78 KDM4E (0.45) ALDH1A1CYP11B1CYP11B2KDM4EGRM5
SCHEMBL16045938 0.77 ALDH1A1 (0.44) ALDH1A1LMNAMAPTNOTUMKDM4E
SCHEMBL28050493 0.77 KMT2A (0.49) ALDH1A1LMNAMAPTNOTUMKDM4E
SCHEMBL12438818 0.77 HTT (0.46) ALDH1A1LMNASMN1; SMN2NOTUMKDM4E
SCHEMBL15935401 0.77 HTT (0.51) ALDH1A1LMNAMAPTSMN1; SMN2CYP11B1
SCHEMBL1060286 0.77 P2RX7 (0.56) ALDH1A1LMNAMAPTSMN1; SMN2ELOVL1
SCHEMBL23036953 0.75 MTOR (0.52) ALDH1A1SMN1; SMN2ELOVL1EP300KDM4E
SCHEMBL15352616 0.74 ALDH1A1 (0.47) ALDH1A1LMNAMAPTSMN1; SMN2NOTUM
SCHEMBL2584832 0.74 ALDH1A1 (0.43) ALDH1A1LMNAMAPTSMN1; SMN2NOTUM
SCHEMBL15824279 0.74 ALDH1A1 (0.43) ALDH1A1LMNAMAPTSMN1; SMN2CYP11B1

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-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed