SCHEMBL7861798

SCHEMBL7861798

N#Cc1c(C#N)c(Sc2ccccc2)c(Sc2ccccc2)c(Sc2ccccc2)c1Sc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.56
MAOB P27338 2/20 0.56
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 5/20 0.41
MCL1 Q07820 1/20 0.41
TSHR P16473 2/20 0.40
MAP2K2 P36507 1/20 0.39
MAP2K1 Q02750 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38

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
SCHEMBL7106251 0.83 MAOA (0.48) MAOAMAOBPLA2G1BATG4BALDH1A1
SCHEMBL8723876 0.82 HPGD (0.53) MAOAMAOBALDH1A1KDM4EMAPT
SCHEMBL9392835 0.80 L3MBTL1 (0.49) MAOAMAOBALDH1A1KDM4EMAPT
SCHEMBL7869250 0.80 CA12 (0.49) MAOAMAOBPLA2G1BATG4BALDH1A1
SCHEMBL30071586 0.79 ALDH1A1 (0.55) MAOAMAOBPLA2G1BATG4BALDH1A1
SCHEMBL5074837 0.79 ALDH1A1 (0.55) MAOAMAOBPLA2G1BATG4BALDH1A1
SCHEMBL31238211 0.79 MAOA (0.48) MAOAMAOBALDH1A1KDM4EMAPT
SCHEMBL10826453 0.78 MAOA (0.44) MAOAMAOBPLA2G1BATG4BALDH1A1
SCHEMBL15548028 0.77 MAOA (0.55) MAOAMAOBALDH1A1KDM4EMAPT
SCHEMBL23089835 0.76 DHFR (0.47) MAOAMAOBALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882768-B1 Method for producing of phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2001-12-19 EP disclosed
US-6034236-A REACTING A PHTHALONITRILE WITH A METAL OXIDE IN PRESENCE OF A SULFONIC ACID CATALYST NIPPON SHOKUBAI CO., LTD. (JP) 2000-03-07 US disclosed
EP-0882768-A2 Method for producing of phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 1998-12-09 EP disclosed