SCHEMBL1614178

SCHEMBL1614178

COc1ccc(OC)c2c1Cc1ccccc1[S+]2[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.40
DRD1 P21728 2/20 0.40
DRD5 P21918 2/20 0.40
DRD3 P35462 2/20 0.40
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2A P28223 1/20 0.38
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA4 P22748 3/20 0.33
CA6 P23280 2/20 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
SCHEMBL6483690 0.84 POLB (0.48) MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2789111 0.83 DRD2 (0.48) DRD2DRD1DRD5DRD3HTR2A
SCHEMBL8086714 0.83 HTR2A (0.38) DRD2DRD1DRD5DRD3MAPT
SCHEMBL1614837 0.74 S1PR1 (0.32)
SCHEMBL6901862 0.73 DRD1 (0.58) DRD2DRD1DRD5DRD3MAPT
SCHEMBL1039525 0.73 TUBB4A (0.38) DRD2DRD1DRD5DRD3MAPT
SCHEMBL11292064 0.72
SCHEMBL133173 0.72 CSNK2A1 (0.35) MAPTKDM4EMEN1NPC1RAB9A
SCHEMBL1615142 0.72 MEN1 (0.31) MAPTMEN1KMT2AHPGD
SCHEMBL1614173 0.72 L3MBTL1 (0.31) MAPTMEN1KMT2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086314-A1 MELTS ROHM AND HAAS ELECTRONIC MATERIAL LLC (US) 2011-04-14 US disclosed
US-20090214980-A1 Melts ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2009-08-27 US disclosed
US-20060121389-A1 Melts ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2006-06-08 US disclosed
EP-1630600-A2 Hot melt composition and method involving forming a masking pattern Rohm and Haas Electronic Materials, L.L.C. (US) 2006-03-01 EP disclosed
US-20050170281-A1 Method of cleaving labile functional groups from chemical compounds NIMBLEGEN SYSTEMS, INC. 2005-08-04 US disclosed
EP-1519941-A2 A METHOD OF CLEAVING LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS Chemogenix GmbH (DE) 2005-04-06 EP disclosed
WO-2004001033-A2 A METHOD OF CLEAVING LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS CHEMOGENIX GMBH (DE) 2003-12-31 WO disclosed
US-5414092-A Photoinitiators INTERNATIONAL BIO-SYNTHETICS LIMITED (GB) 1995-05-09 US disclosed
EP-0520574-A1 Thioxanthone derivatives GREAT LAKES FINE CHEMICALS LIMITED (GB) 1992-12-30 EP disclosed