SCHEMBL7078074

SCHEMBL7078074

CCCCCOc1cc(C)cc(-n2cccn2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GLA P06280 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ADORA2A P29274 3/20 0.33
PTGES O14684 2/20 0.33

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
SCHEMBL6195082 0.81 NPC1 (0.40) GRM5ALDH1A1KDM4ENPC1RAB9A
SCHEMBL10027698 0.76 ALDH1A1 (0.59) GRM5ALDH1A1KDM4ENPC1RAB9A
SCHEMBL15764343 0.68 CCR1 (0.52) GRM5ALDH1A1KDM4ENPC1RAB9A
SCHEMBL8645551 0.67 CYP19A1 (0.58) NPC1SMN1; SMN2LMNATSHRCYP3A4
SCHEMBL8008287 0.66 GRM5 (0.56) GRM5ALDH1A1KDM4ENPC1RAB9A
SCHEMBL30620582 0.65 KDM4E (0.62) ALDH1A1KDM4ENPC1RAB9AGLA
SCHEMBL5147045 0.64 APOBEC3A (0.41) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL25428781 0.64 KDM5A (0.42) GRM5ALDH1A1NPC1RAB9AGLA
SCHEMBL9520962 0.64 SMN1; SMN2 (0.42) KDM4ESMN1; SMN2LMNAMAPTTSHR
SCHEMBL3807519 0.63 HRH4 (0.54)

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
EP-1101764-B1 Herbicidal 2-aryloxy-4-methyl-6-pyrazol-1-yl-pyridines BASF AG (DE) 2003-10-22 EP disclosed
EP-1101764-B1 Herbicidal 2-aryloxy-4-methyl-6-pyrazol-1-yl-pyridines BASF AG (DE) 2003-10-22 EP disclosed
US-6448204-B1 TOGETHER WITH AN AGRONOMICALLY ACCEPTABLE CARRIER; PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 2002-09-10 US disclosed
US-6448204-B1 TOGETHER WITH AN AGRONOMICALLY ACCEPTABLE CARRIER; PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 2002-09-10 US disclosed
EP-1101764-A1 Herbicidal 2-aryloxy-4-methyl-6-pyrazol-1-yl-pyridines BASF AKTIENGESELLSCHAFT (DE) 2001-05-23 EP disclosed
EP-1101764-A1 Herbicidal 2-aryloxy-4-methyl-6-pyrazol-1-yl-pyridines BASF AKTIENGESELLSCHAFT (DE) 2001-05-23 EP disclosed