SCHEMBL5889412

SCHEMBL5889412

Sc1ccc(Sc2ccc(Cl)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.68
MAOA P21397 3/20 0.52
MAOB P27338 3/20 0.52
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRNA7 P36544 1/20 0.42
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42
HAO1 Q9UJM8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RHEB Q15382 1/20 0.40
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 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
SCHEMBL179817 0.86 NR1H2 (0.47) IDO1MAOAMAOBMEN1KMT2A
SCHEMBL481976 0.86 MAOA (0.64) MAOAMAOBMEN1KMT2ACHRNA7
SCHEMBL9475224 0.86 MAOA (0.64) MAOAMAOBMEN1KMT2ACHRNA7
SCHEMBL9476350 0.86 MAOA (0.64) MAOAMAOBMEN1KMT2ACHRNA7
SCHEMBL6546576 0.83 MAOA (0.61) MAOAMAOBMEN1KMT2ACHRNA7
SCHEMBL6546581 0.83 MAOA (0.61) MAOAMAOBMEN1KMT2ACHRNA7
SCHEMBL1157999 0.83 NR1H2 (0.45) IDO1MAOAMAOBMEN1KMT2A
SCHEMBL48247 0.83
SCHEMBL7735432 0.80
SCHEMBL5562378 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758454-B1 SOLUTION PHASE PROCESSING OF POLYARYLENE SULFIDE DU PONT (US) 2015-07-08 EP disclosed
US-7026372-B2 Enic compounds, sulfur-containing polyenic compound, sulfur-containing polythiol compound, high refractive index photocurable composition and cured product thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-04-11 US disclosed
US-20050154073-A1 Enic compounds, sulfur-containing polyenic compound, sulfur-containing polythiol compound, high refractive index photocurable composition and cured product thereof ISHII KENJI (JP) 2005-07-14 US disclosed
US-6872333-B2 Enic compounds, sulfur-containing polyenic compound, sulfur-containing polythiol compound, high refractive index photocurable composition and cured product thereof MITSUBISHI GAS CHEMICAL COMPANY, LTD. (JP) 2005-03-29 US disclosed
US-20030195270-A1 Enic compounds, sulfur-containing polyenic compound, sulfur-containing polythiol compound, high refractive index photocurable composition and cured product thereof ISHII KENJI (JP) 2003-10-16 US disclosed