SCHEMBL5233499

SCHEMBL5233499

O=C(Cc1ccnc2ccc(Br)cc12)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SLC22A12 Q96S37 4/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
LMNA P02545 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
GRM5 P41594 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
FLT1 P17948 1/20 0.39

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
SCHEMBL5231726 0.91 GRM4 (0.44) GRM4MEN1KMT2ANPC1L3MBTL1
SCHEMBL4872056 0.85 CYP1A2 (0.55) GRM4KMT2AL3MBTL1ALDH1A1CYP1A2
SCHEMBL3747756 0.83 ALDH1A1 (0.39) NPC1GAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL31461243 0.83 ALDH1A1 (0.39) NPC1GAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL5236574 0.78 TSHR (0.48) GRM4KMT2AL3MBTL1CYP1A2SMN1; SMN2
SCHEMBL22122307 0.77 SLC22A12 (0.47) L3MBTL1ALDH1A1MAPTKDM4ESLC22A12
SCHEMBL5232920 0.75 RAB9A (0.49) GRM4MEN1KMT2ANPC1L3MBTL1
SCHEMBL5238502 0.75 GRM5 (0.34) MEN1KMT2ANPC1GAAALDH1A1
SCHEMBL5238497 0.75 GRM5 (0.34) MEN1KMT2ANPC1GAAALDH1A1
SCHEMBL5231287 0.74 NPC1 (0.49) GRM4MEN1KMT2ANPC1L3MBTL1

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-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP disclosed