SCHEMBL587583

SCHEMBL587583

C=C(C)C(=O)N(C#N)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
XBP1 P17861 1/20 0.34
ATM Q13315 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ELANE P08246 1/20 0.33
CYP3A4 P08684 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
SCHEMBL11423644 0.81 SMN1; SMN2 (0.41) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL437417 0.81 NPSR1 (0.41) NPSR1ALDH1A1MEN1KMT2AGAA
SCHEMBL28249141 0.79 ALDH1A1 (0.40) NPSR1ALDH1A1MEN1KMT2AGAA
SCHEMBL195179 0.75 NPSR1 (0.54) HPGDNPSR1ALDH1A1KDM4EMEN1
SCHEMBL6279274 0.74 NPSR1 (0.35) HPGDNPSR1ALDH1A1MEN1KMT2A
SCHEMBL2815024 0.73 LMNA (0.42) HPGDNPSR1ALDH1A1LMNAMAPT
SCHEMBL27328134 0.73 NPSR1 (0.41) NPSR1ALDH1A1MEN1KMT2AGLA
SCHEMBL194085 0.73 HTT (0.46) NPSR1KDM4EMEN1KMT2ALMNA
SCHEMBL194141 0.73 KDM4E (0.43) HPGDNPSR1ALDH1A1KDM4EMEN1
SCHEMBL7758208 0.72 MTNR1A (0.36) HPGDNPSR1ALDH1A1MEN1KMT2A

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-8632953-B2 Process for making lithographic printing plate FUJIFILM CORPORATION (JP) 2014-01-21 US disclosed
EP-2105451-B1 Nitrile group-containing polymer and method of synthesizing the same, composition containing nitrile group-containing polymer, and laminate FUJIFILM CORP (JP) 2012-02-15 EP disclosed
US-20100273014-A1 METAL-CLAD SUBSTRATE, AND METHOD FOR PRODUCTION THEREOF FUJIFILM CORPORATION (JP) 2010-10-28 US disclosed
US-20100081090-A1 PROCESS FOR MAKING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
US-20100003533-A1 METAL-FILM-COATED MATERIAL AND PROCESS FOR PRODUCING THE SAME, METALLIC-PATTERN-BEARING MATERIAL AND PROCESS FOR PRODUCING THE SAME, COMPOSITION FOR POLYMER LAYER FORMATION, NITRILE GROUP-CONTAINING POLYMER AND METHOD OF SYNTHESIZING THE SAME, COMPOSITION CONTAINING NITRILE GROUP-CONTAINING POLYMER, AND LAMINATE FUJIFILM CORPORATION (JP) 2010-01-07 US disclosed
US-20090155553-A1 Method of manufacturing surface metal film material, surface metal film material, method of manufacturing patterned metal material, patterned metal material, and polymer layer-forming composition FUJIFILM CORPORATION (JP) 2009-06-18 US disclosed