SCHEMBL438493

SCHEMBL438493

CCCCCn1nccc1N

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
TLR8 Q9NR97 7/20 0.44
SLC9A1 P19634 3/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
MPO P05164 1/20 0.37

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
SCHEMBL15189572 0.98 KDM4E (0.44) KDM4ETLR8SLC9A1ALDH1A1PKM
SCHEMBL10725199 0.94 KDM4E (0.47) KDM4ETLR8SLC9A1ALDH1A1PKM
SCHEMBL2340816 0.86
Quinoline SCHEMBL27458348 0.83 ALDH1A1 (0.45) TLR8SLC9A1ALDH1A1MPO
SCHEMBL6755827 0.81 KDM4E (0.57) KDM4EALDH1A1PKM
Butyric Acid SCHEMBL28289188 0.81 MAPK1 (0.49) KDM4EALDH1A1
SCHEMBL27986966 0.78 KDM4E (0.47) KDM4EALDH1A1PKM
SCHEMBL9442047 0.78 KDM4E (0.47) KDM4EALDH1A1PKMMPO
SCHEMBL11499176 0.78 SLC9A1 (0.42) TLR8SLC9A1ALDH1A1MPO
SCHEMBL10771375 0.78 MAPK1 (0.53) TLR8SLC9A1ALDH1A1MPO

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 208 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6518408-B1 Fiber-reactive group is not 2-( beta -sulfatoethylsulfonyl)ethylamino when K1 and K2 are phenyl substituted by a fiber-reactive group, and the fiber-reactive group is not beta -sulfatoethylsulfonyl when K1 and K2 are N-( CIBA SPECIALTY CHEMICALS CORPORATION 2003-02-11 US claimed
EP-0712905-B1 Reactive dyestuffs, their preparation and use CIBA SC HOLDING AG (CH) 2001-08-29 EP claimed
US-5686584-A DISAZO NAPHTHALENE DYES CIBA-GEIGY CORPORATION (US) 1997-11-11 US claimed
US-5665125-A Mixtures of fibre-reactive ring-opened phthalimidylazo dyes CIBA-GEIGY CORPORATION (US) 1997-09-09 US claimed
US-5532345-A Fiber reactive phthalimidylazo dyes and use thereof CIBA-GEIGY CORPORATION (US) 1996-07-02 US claimed
CN-1028228-C Process for preparing 1-arylpyrazoles BAYER AG (DE) 1995-04-19 CN claimed
EP-0245646-B1 PROCESS FOR THE PREPARATION OF 1-ARYL-5-AMINO-PYRAZOLES BAYER AG (DE) 1991-09-11 EP claimed
EP-0235628-B1 1-ARYLPYRAZOLES BAYER AG (DE) 1991-04-24 EP claimed
EP-0231510-B1 1-ARYL PYRAZOLES BAYER AG (DE) 1990-09-26 EP claimed
EP-0232538-B1 5-ACYLAMIDO-1-ARYL PYRAZOLES BAYER AG (DE) 1990-05-23 EP claimed
EP-0245646-A1 Process for the preparation of 1-aryl-5-amino-pyrazoles BAYER AG (DE) 1987-11-19 EP claimed
EP-0243636-A1 1-Aryl-4-trifluoromethyl-5-amino pyrazoles as pesticides BAYER AG (DE) 1987-11-04 EP claimed
EP-0242687-A2 Process for the preparation of 1-aryl-5-amino-pyrazoles BAYER AG (DE) 1987-10-28 EP claimed
US-4695308-A Herbicidal substituted 5-amino-1-aryl-pyrazoles BAYER AKTIENGESELLSCHAFT (DE) 1987-09-22 US claimed
EP-0233341-A1 5-Heterocyclyl-1-aryl-pyrazole BAYER AG (DE) 1987-08-26 EP claimed
EP-0232538-A2 5-Acylamido-1-aryl pyrazoles BAYER AG (DE) 1987-08-19 EP claimed
EP-0222253-A1 Substituted 5-amino-1-aryl-pyrazoles BAYER AG (DE) 1987-05-20 EP claimed
EP-0216102-A1 1-Arylpyrazoles BAYER AG (DE) 1987-04-01 EP claimed
CN-86105140-A The 1-aryl pyrazole compound 1987-02-25 CN claimed
EP-0205022-A2 1-Aryl-5-alkoximinoalkyl amino pyrazoles BAYER AG (DE) 1986-12-17 EP claimed