SCHEMBL8565951

SCHEMBL8565951

O=C(c1ccc(Cl)cc1)c1cncnc1C(F)(F)Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.44
NPC1 O15118 4/20 0.42
POLB P06746 1/20 0.42
NR4A1 P22736 1/20 0.41
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PRNP P04156 1/20 0.40
SRD5A2 P31213 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.38
CYP19A1 P11511 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
VNN1 O95497 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NTRK1 P04629 1/20 0.36
LTC4S Q16873 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL8576768 0.85 ADORA1 (0.44) ADORA1NPC1POLBNR4A1RAB9A
SCHEMBL8852563 0.77 NPC1 (0.58) ADORA1NPC1POLBNR4A1RAB9A
SCHEMBL8558082 0.74 ALDH1A1 (0.34) POLBSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL8581331 0.72 CYP19A1 (0.39) MAPK1CYP19A1KMT2AMEN1
SCHEMBL8566193 0.72 SYK (0.34) KDM4E
SCHEMBL8577610 0.71 PTPN1 (0.34)
SCHEMBL10562297 0.70 SRD5A2 (0.57) ADORA1NR4A1SMN1; SMN2SRD5A2MAPK1
SCHEMBL8560086 0.70 CYP11B2 (0.37)
SCHEMBL8566575 0.70 ALDH1A1 (0.38) KDM4EALDH1A1
SCHEMBL1921967 0.68 ROCK2 (0.50) ADORA1NPC1POLBNR4A1RAB9A

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
JP-8073441-A None JP disclosed
US-5773388-A Pyrimidine derivatives, herbicides and plant growth regulators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-30 US disclosed
US-5716904-A FOR BROARD LEAF WEEDS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
EP-0764641-A1 NOVEL 4,5-DISUBSTITUTED PYRIMIDINE DERIVATIVE AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-26 EP disclosed
EP-0713872-A1 NOVEL PYRIMIDINE DERIVATIVE, HERBICIDE AND PLANT GROWTH REGULATOR NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-05-29 EP disclosed
JP-H0873441-A NEW 4,5-SUBSTITUTED PYRIMIDINE DERIVATIVE AND HERBICIDE NISSAN CHEM IND LTD 1996-03-19 JP disclosed