SCHEMBL7053512

SCHEMBL7053512

C[N]c1cccc(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.48
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
MPI P34949 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
TSHR P16473 1/20 0.42
CLK4 Q9HAZ1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
PDE4D Q08499 1/20 0.40
PDE7A Q13946 1/20 0.40
PDE3A Q14432 1/20 0.40
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39

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
SCHEMBL4088185 0.82 ALDH1A1 (0.47) ENPP2ALDH1A1MAPTLMNAMPI
SCHEMBL11709267 0.80 ALDH1A1 (0.46) ENPP2ALDH1A1MAPTLMNAMPI
SCHEMBL29406199 0.78 TSHR (0.54) ENPP2ALDH1A1MAPTLMNAMPI
SCHEMBL10311338 0.78 CLK4 (0.46) ENPP2ALDH1A1MAPTLMNAMPI
SCHEMBL11709274 0.78 ALDH1A1 (0.45) ENPP2ALDH1A1MAPTLMNAMPI
SCHEMBL16620675 0.78 ALDH1A1 (0.45) ENPP2ALDH1A1MAPTLMNAMPI
SCHEMBL16620279 0.78 ALDH1A1 (0.48) ENPP2ALDH1A1MAPTLMNAMPI
SCHEMBL16620277 0.78 ALDH1A1 (0.48) ENPP2ALDH1A1MAPTLMNAMPI
SCHEMBL9197647 0.78 ALDH1A1 (0.42) ENPP2ALDH1A1MAPTLMNAMPI
SCHEMBL2817154 0.75 TSHR (0.61) ENPP2ALDH1A1MAPTTSHRCLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882715-B1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA CHEMICAL IND CO LTD (JP) 2003-04-23 EP disclosed
US-6339045-B1 CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-15 US disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP disclosed
EP-0515844-B1 Phenylazo- or naphthylazobenzenes with several reactive groups BASF AG (DE) 1995-12-27 EP disclosed
EP-0437699-B1 Phenylazo- or naphthylazobenzene with several reactive groups as well as their intermediate products BASF AG (DE) 1994-06-22 EP disclosed
US-5276148-A Phenylazobenzenes or naphthylazobenzenes having a plurality of fiber-reactive groups BASF AKTIENGESELLSCHAFT (DE) 1994-01-04 US disclosed
US-5214207-A Intermediates for reactive dyes BASF AKTIENGESELLSCHAFT (DE) 1993-05-25 US disclosed
EP-0515844-A1 Phenylazo- or naphthylazobenzenes with several reactive groups BASF Aktiengesellschaft (DE) 1992-12-02 EP disclosed
US-5091516-A PHENYL- OR NAPHTHYLAZOBENZENES WITH MULTIPLE REACTIVE GROUPS AND INTERMEDIATES THEREFOR BASF AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed
EP-0437699-A1 Phenylazo- or naphthylazobenzene with several reactive groups as well as their intermediate products BASF Aktiengesellschaft (DE) 1991-07-24 EP disclosed