SCHEMBL2394925

SCHEMBL2394925

CNc1cccc(C#N)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
CDC42BPA Q5VT25 1/20 0.38
CDC42BPB Q9Y5S2 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
CXCR2 P25025 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35

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
SCHEMBL29565140 0.80 KDM4E (0.52) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL1343863 0.80 KDM4E (0.52) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL21965751 0.79 CYP1A2 (0.47) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL16269532 0.79 TSHR (0.45) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL10330186 0.79 TSHR (0.43) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL11792479 0.78 SLC22A12 (0.44) TSHRKDM4EHSD17B10L3MBTL1ADORA2A
Bromide SCHEMBL20984417 0.78 KDM4E (0.38) TSHRKDM4EHPGDHSD17B10L3MBTL1
Hydrochloric Acid SCHEMBL20984076 0.78 KDM4E (0.38) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL6017719 0.78 KDM4E (0.50) KDM4EHPGDHSD17B10L3MBTL1ADORA2A
SCHEMBL9228718 0.78 EGFR (0.40) TSHRKDM4EHPGDHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101622262-B Near infrared absorbing phthalocyanines and their use CIBA HOLDING INC 2013-04-24 CN disclosed
US-8221657-B2 Near infrared absorbing phthalocyanines and their use BASF SE (DE) 2012-07-17 US disclosed
US-8221657-B2 Near infrared absorbing phthalocyanines and their use BASF SE (DE) 2012-07-17 US disclosed
US-8221657-B2 Near infrared absorbing phthalocyanines and their use BASF SE (DE) 2012-07-17 US disclosed
US-20110236642-A1 NEAR INFRARED ABSORBING PHTHALOCYANINES AND THEIR USE PERI FRANCESCA 2011-09-29 US disclosed
US-20110236642-A1 NEAR INFRARED ABSORBING PHTHALOCYANINES AND THEIR USE PERI FRANCESCA 2011-09-29 US disclosed
US-20110236642-A1 NEAR INFRARED ABSORBING PHTHALOCYANINES AND THEIR USE PERI FRANCESCA 2011-09-29 US disclosed
EP-2118115-B1 NEAR INFRARED ABSORBING PHTHALOCYANINES AND THEIR USE BASF SE (DE) 2010-08-11 EP disclosed
EP-2118115-B1 NEAR INFRARED ABSORBING PHTHALOCYANINES AND THEIR USE BASF SE (DE) 2010-08-11 EP disclosed
US-20100032608-A1 NEAR INFRARED ABSORBING PHTHALOCYANINES AND THEIR USE CIBA CORPORATION (US) 2010-02-11 US disclosed
US-20100032608-A1 NEAR INFRARED ABSORBING PHTHALOCYANINES AND THEIR USE CIBA CORPORATION (US) 2010-02-11 US disclosed
US-20100032608-A1 NEAR INFRARED ABSORBING PHTHALOCYANINES AND THEIR USE CIBA CORPORATION (US) 2010-02-11 US disclosed
CN-101622262-A Near infrared absorbing phthalocyanines and their use CIBA HOLDING INC 2010-01-06 CN disclosed
EP-2118115-A1 NEAR INFRARED ABSORBING PHTHALOCYANINES AND THEIR USE Ciba Holding Inc. (CH) 2009-11-18 EP disclosed
WO-2008083918-A1 NEAR INFRARED ABSORBING PHTHALOCYANINES AND THEIR USE CIBA HOLDING INC. (CH) 2008-07-17 WO disclosed
WO-2008083918-A1 NEAR INFRARED ABSORBING PHTHALOCYANINES AND THEIR USE CIBA HOLDING INC. (CH) 2008-07-17 WO disclosed