SCHEMBL16539249

SCHEMBL16539249

c1ccc(C2N=NC(c3ccccc3)N2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CHRNA7 P36544 1/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM1A O60341 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL17253990 0.82 SLC6A4 (0.41) NOS2MAOAMAOBKDM1ACYP2D6
SCHEMBL18676170 0.76 NOS2 (0.39) NOS2SMN1; SMN2SLC18A3SIGMAR1TSHR
SCHEMBL31146730 0.67 SMN1; SMN2 (0.61) SMN1; SMN2SLC18A3SIGMAR1MEN1KMT2A
SCHEMBL18125709 0.67 CYP2C19 (0.45) SMN1; SMN2SLC18A3SIGMAR1MEN1KMT2A
SCHEMBL10376420 0.67 SMN1; SMN2 (0.61) SMN1; SMN2SLC18A3SIGMAR1MEN1KMT2A
SCHEMBL10537566 0.67 SMN1; SMN2 (0.61) SMN1; SMN2SLC18A3SIGMAR1MEN1KMT2A
SCHEMBL30943497 0.67 SMN1; SMN2 (0.61) SMN1; SMN2SLC18A3SIGMAR1MEN1KMT2A
SCHEMBL587341 0.67
SCHEMBL11812669 0.67 CYP2C19 (0.45) SMN1; SMN2SLC18A3SIGMAR1MEN1KMT2A
SCHEMBL2682379 0.67 SMN1; SMN2 (0.61) SMN1; SMN2SLC18A3SIGMAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3041920-B1 DETERGENT COMPOSITION WITH IMPROVED PERFORMANCE HENKEL AG & CO KGAA (DE) 2018-10-10 EP disclosed
EP-2772483-B1 4-AMINOCARBAZOLE COMPOUND AND USE OF SAME TOSOH CORP (JP) 2017-03-29 EP disclosed
WO-2017026643-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-02-16 WO disclosed
EP-3041920-A1 CLEANING AND DETERGENT AGENT WITH IMPROVED PERFORMANCE Henkel AG & Co. KGaA (DE) 2016-07-13 EP disclosed
WO-2015178732-A1 MULTI-COMPONENT HOST MATERIAL AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-11-26 WO disclosed
WO-2015170882-A1 MULTI-COMPONENT HOST MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-11-12 WO disclosed
WO-2015028536-A1 CLEANING AND DETERGENT AGENT WITH IMPROVED PERFORMANCE HENKEL AG & CO. KGAA (DE) 2015-03-05 WO disclosed