SCHEMBL8565949

SCHEMBL8565949

O=C(c1ccc(Cl)cc1)c1cnc(C(F)F)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 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
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
VNN1 O95497 2/20 0.38
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
ADORA1 P30542 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
SCHEMBL8558079 0.76 POLB (0.35) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL8577613 0.73 PTPN1 (0.33) ALDH1A1
SCHEMBL8566197 0.73 NFKB1 (0.35)
SCHEMBL8560094 0.72 P2RX7 (0.36)
SCHEMBL27243764 0.71 NPC1 (0.47) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL8566570 0.71 TSHR (0.36) ALDH1A1
SCHEMBL8930608 0.70 HPGD (0.35) MAPK1
SCHEMBL5001988 0.67 AKR1C3 (0.44) NR4A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2162312 0.65 SMN1; SMN2 (0.59) NR4A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL10697158 0.64 SRD5A2 (0.80) NR4A1SRD5A2MAPK1MAPTCNR2

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