SCHEMBL21921407

SCHEMBL21921407

C[C@H]1CNC(=O)N1c1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.50
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
MGLL Q99685 1/20 0.44
NPC1 O15118 1/20 0.43
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 1/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL30088143 1.00 ALOX5 (0.50) ALOX5ALDH1A1MEN1KMT2ARXFP1
SCHEMBL21804941 1.00 ALOX5 (0.50) ALOX5ALDH1A1MEN1KMT2ARXFP1
SCHEMBL21804897 1.00 ALOX5 (0.50) ALOX5ALDH1A1MEN1KMT2ARXFP1
SCHEMBL31663152 0.80 GAA (0.44) ALOX5ALDH1A1MEN1KMT2ANPC1
SCHEMBL2234874 0.80 GAA (0.44) ALOX5ALDH1A1MEN1KMT2ANPC1
SCHEMBL30797233 0.76 MIF (0.41) MGLLL3MBTL1
SCHEMBL19280231 0.72 ALOX5 (0.47) ALOX5ALDH1A1MEN1KMT2AMGLL
SCHEMBL19996264 0.72 ALOX5 (0.47) ALOX5ALDH1A1MEN1KMT2AMGLL
SCHEMBL8305787 0.71 GAA (0.46) ALOX5MEN1KMT2AMGLLMAPT
SCHEMBL16701852 0.70 DDB1 (0.39) ALDH1A1MEN1KMT2ANPC1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113015526-A Spirocyclic 2, 3-dihydro-7-azaindole compounds and uses thereof 豪夫迈·罗氏有限公司 2021-06-22 CN disclosed
WO-2020061377-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-03-26 WO disclosed