SCHEMBL7707656

SCHEMBL7707656

CN1N=C(c2ccc(Cl)cc2)CC1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CD274 Q9NZQ7 3/20 0.52
PDCD1 Q15116 1/20 0.52
NOTUM Q6P988 2/20 0.46
MAPT P10636 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAOB P27338 3/20 0.40

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
SCHEMBL8685634 0.84 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2CD274PDCD1
SCHEMBL8619935 0.84 CD274 (0.54) ALDH1A1KDM4ESMN1; SMN2CD274PDCD1
SCHEMBL11401478 0.83 PDE4A (0.55) ALDH1A1KDM4ESMN1; SMN2CD274PDCD1
SCHEMBL8625894 0.82 MAOB (0.42) ALDH1A1KDM4ESMN1; SMN2CD274KMT2A
SCHEMBL17290241 0.82 GAA (0.48) ALDH1A1KDM4ESMN1; SMN2CD274PDCD1
SCHEMBL1555068 0.82 PDE4A (0.40) ALDH1A1KDM4ESMN1; SMN2CD274PDCD1
SCHEMBL761766 0.82 GAA (0.39) ALDH1A1KDM4ESMN1; SMN2CD274PDCD1
SCHEMBL4625694 0.81 GAA (0.54) ALDH1A1KDM4ESMN1; SMN2CD274PDCD1
SCHEMBL8621001 0.79 KMT2A (0.58) ALDH1A1KDM4ESMN1; SMN2CD274PDCD1
SCHEMBL8791575 0.79 TP53 (0.47) ALDH1A1KDM4ESMN1; SMN2CD274PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103387540-B A kind of salt forming method prepares the method for azoles bacterium ester SINOCHEM CORP. (CN) 2015-10-14 CN disclosed
CN-103387540-A Method for preparation of pyraoxystrobin by salt forming method SINOCHEM CORP 2013-11-13 CN disclosed
US-6420367-B1 RAS GENE SHIONOGO & CO., LTD. (JP) 2002-07-16 US disclosed
US-6365552-B1 AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
EP-0759907-B1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AG (DE) 2001-10-10 EP disclosed
EP-1097933-A1 PYRIMIDINE DERIVATIVES EXHIBITING ANTITUMOR ACTIVITY SHIONOGI & CO., LTD. (JP) 2001-05-09 EP disclosed
US-5928999-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-07-27 US disclosed
US-RE35801-E PYRAZOLONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 1998-05-19 US disclosed
US-5744426-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-04-28 US disclosed
CN-1152305-A Substituted 3-phenylpyrazoles as herbicides BASF AG (DE) 1997-06-18 CN disclosed
EP-0763025-A1 SUBSTITUTED 3-PHENYLPYRAZOLES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-03-19 EP disclosed
EP-0759907-A1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-03-05 EP disclosed
WO-1995033728-A1 SUBSTITUTED 3-PHENYLPYRAZOLES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1995-12-14 WO disclosed
WO-1995032188-A1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1995-11-30 WO disclosed
EP-0208874-B1 PROPHYLACTIC AND THERAPEUTIC AGENT FOR CIRCULATORY DISORDERS MITSUBISHI KASEI CORPORATION (JP) 1993-03-24 EP disclosed
US-4857542-A INHIBITOR AGAINST LIPID PEROXIDATION MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1989-08-15 US disclosed
EP-0208874-A1 Prophylactic and therapeutic agent for circulatory disorders MITSUBISHI KASEI CORPORATION (JP) 1987-01-21 EP disclosed