SCHEMBL2830195

SCHEMBL2830195

CCCCC#Cc1c2ccccc2c(C#CCCCC)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.44
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
APEX1 P27695 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
RCE1 Q9Y256 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
SCHEMBL718529 0.83 KCNH2 (0.46) KCNH2MAPTTDP1CYP3A4KDM4E
SCHEMBL719932 0.83 KCNH2 (0.46) KCNH2MAPTTDP1CYP3A4KDM4E
SCHEMBL15287825 0.80 KCNH2 (0.39) KCNH2MAPTTDP1CYP3A4KDM4E
SCHEMBL17509621 0.78 KCNH2 (0.49) KCNH2MAPTTDP1CYP3A4KDM4E
SCHEMBL15428189 0.78 TDP1 (0.44) KCNH2MAPTTDP1CYP3A4KDM4E
SCHEMBL614578 0.77 CYP1A2 (0.50) KCNH2MAPTTDP1CYP3A4KDM4E
SCHEMBL1611573 0.76 MAPT (0.45) KCNH2MAPTTDP1CYP3A4KDM4E
SCHEMBL28365768 0.76 CYP3A4 (0.45) KCNH2MAPTTDP1CYP3A4KDM4E
Hydrochloric Acid SCHEMBL31144511 0.75 BLM (0.52) KCNH2MAPTTDP1CYP3A4KDM4E
SCHEMBL5667072 0.74 CXCR2 (0.39) KCNH2MAPTTDP1CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8192898-B2 Composition for fluorine-containing volume holographic data recording material and fluorine-containing volume holographic data recording media made of same DAIKIN INDUSTRIES, LTD. (JP) 2012-06-05 US disclosed
US-20100112460-A1 COMPOSITION FOR FLUORINE-CONTAINING VOLUME HOLOGRAPHIC DATA RECORDING MATERIAL AND FLUORINE-CONTAINING VOLUME HOLOGRAPHIC DATA RECORDING MEDIA MADE OF SAME UMEDA CENTER BUILDING (JP) 2010-05-06 US disclosed
US-20050185232-A1 Volume hologram recording photosensitive composition and its use NIPPON PAINT CO., LTD. (JP) 2005-08-25 US disclosed
US-5338818-A Silicon containing positive resist for DUV lithography INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1994-08-16 US disclosed
US-5055439-A PHOTOACID GENERATING COMPOSITION AND SENSITIZER THEREFOR INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1991-10-08 US disclosed
EP-0435531-A2 Photoacid generating composition and sensitizer therefor International Business Machines Corporation (US) 1991-07-03 EP disclosed