SCHEMBL2582845

SCHEMBL2582845

C=CCN(C#N)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
S1PR1 P21453 1/20 0.37
ALDH1A1 P00352 6/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 3/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
USP2 O75604 1/20 0.33
SLC6A2 P23975 1/20 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
SCHEMBL277885 0.80 ESR1 (0.41) ESR1S1PR1ALDH1A1L3MBTL1CYP1A2
SCHEMBL27929156 0.77 ALDH1A1 (0.40) ALDH1A1L3MBTL1CYP1A2NPSR1MAPT
Water SCHEMBL10786878 0.76 ESR1 (0.43) ESR1S1PR1ALDH1A1CYP1A2NPSR1
SCHEMBL10989827 0.76 S1PR1 (0.38) ESR1S1PR1ALDH1A1CYP1A2MAPT
SCHEMBL39946 0.73 ESR1 (0.44) ESR1S1PR1ALDH1A1CYP1A2MAPT
SCHEMBL9818045 0.73 ESR1 (0.44) ESR1S1PR1ALDH1A1CYP1A2MAPT
Benzene SCHEMBL27985319 0.73 ESR1 (0.44) ESR1S1PR1ALDH1A1CYP1A2MAPT
SCHEMBL8030804 0.72 S1PR1 (0.44) ESR1S1PR1ALDH1A1CYP1A2NPSR1
SCHEMBL11639877 0.72 ESR1 (0.45) ESR1S1PR1ALDH1A1CYP1A2MAPT
SCHEMBL2243707 0.72 NPSR1 (0.44) ALDH1A1L3MBTL1NPSR1MAPTCRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1906238-B1 Photosensitive composition and pattern forming method using the same FUJIFILM CORP (JP) 2011-11-09 EP disclosed
US-7824836-B2 Photosensitive composition and pattern forming method using the same FUJIFILM CORPORATION (JP) 2010-11-02 US disclosed
US-20080274421-A1 PHOTOSENSITIVE COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-11-06 US disclosed
EP-1906238-A2 Photosensitive composition and pattern forming method using the same FUJIFILM Corporation (JP) 2008-04-02 EP disclosed
US-5612353-A ANTICOAGULANT RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-03-18 US disclosed
EP-0599183-A1 Manufacturing of pesticides and intermediates RHONE-POULENC AGROCHIMIE (FR) 1994-06-01 EP disclosed
US-3996000-A USING THE EXHAUSTION PROCESS BAYER AKTIENGESELLSCHAFT (DT) 1976-12-07 US disclosed