SCHEMBL11468990

SCHEMBL11468990

Clc1ccc2nc(-c3ncc[nH]3)nnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.47
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 4/20 0.39
METAP2 P50579 2/20 0.38
METAP1 P53582 2/20 0.38
CBFB Q13951 1/20 0.38
NR4A2 P43354 1/20 0.38
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
DYRK1A Q13627 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 2/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL11351173 0.80 NISCH (0.48) NPC1RAB9AALDH1A1METAP2METAP1
SCHEMBL9720019 0.76 NPC1 (0.39) NPC1RAB9AALDH1A1METAP2METAP1
SCHEMBL5081902 0.74 HTR3A (0.45) NPC1RAB9AALDH1A1NR4A2HSD17B10
SCHEMBL13977589 0.71 NISCH (0.50) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL3631532 0.69 RAB9A (0.50) PIK3CGNPC1RAB9AALDH1A1KDM4E
SCHEMBL432072 0.69 CSF1R (0.56) MEN1KMT2A
SCHEMBL5192498 0.69 NISCH (0.41) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL31429694 0.68 IDO1 (0.51) NPC1RAB9AALDH1A1KDM4EHSD17B10
SCHEMBL8542466 0.68 ALDH1A1 (0.49) NPC1RAB9AALDH1A1ADORA3MAPT
SCHEMBL11251348 0.68 PIK3CG (0.64) PIK3CGALDH1A1NR4A2F7F3

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-4239760-A Combating fungi and bacteria with 3-azolyl-benzo-1,2,4-triazines and 1-oxides thereof BAYER AKTIENGESELLSCHAFT (DE) 1980-12-16 US claimed