SCHEMBL9701945

SCHEMBL9701945

CCc1cc(N(C)c2ccccc2)cc(CC)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 4/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
NR3C2 P08235 1/20 0.39
DHFR P00374 3/20 0.38
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
S1PR4 O95977 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
SCHEMBL9700902 0.77 POLB (0.36) HTTPOLBALDH1A1MEN1KMT2A
SCHEMBL12258324 0.75 CHKA (0.47) CHKAHTTNR3C2DHFRALDH1A1
SCHEMBL7615550 0.72 POLB (0.44) HTTPOLBDHFRALDH1A1CYP3A4
SCHEMBL20385081 0.72 MEN1 (0.52) CHKAHTTNR3C2ALDH1A1MEN1
Benzene SCHEMBL14537401 0.72 MEN1 (0.52) CHKAHTTNR3C2ALDH1A1MEN1
SCHEMBL6567354 0.72 MEN1 (0.52) CHKAHTTNR3C2ALDH1A1MEN1
SCHEMBL31886 0.72 MEN1 (0.52) CHKAHTTNR3C2ALDH1A1MEN1
SCHEMBL22931682 0.72 MEN1 (0.52) CHKAHTTNR3C2ALDH1A1MEN1
SCHEMBL11700167 0.71 MEN1 (0.40) CHKAHTTNR3C2ALDH1A1MEN1
Alcohol SCHEMBL11357181 0.71 CHKA (0.48) CHKAHTTNR3C2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114975-A Insecticides and miticides CIBA-GEIGY CORPORATION (US) 1992-05-19 US disclosed
EP-0304402-B1 ANILINOPHENYL THIOUREAS, ISOTHIOUREAS AND CARBODIIMIDES, THEIR PREPARATION AND THEIR USE IN PEST-CONTROL CIBA-GEIGY AG (CH) 1992-05-06 EP disclosed
US-5026730-A Anilinophenylthioureas, compositions containing them, and the use thereof in pest control CIBA-GEIGY CORPORATION (US) 1991-06-25 US disclosed
EP-0304402-A2 Anilinophenyl thioureas, isothioureas and carbodiimides, their preparation and their use in pest-control CIBA-GEIGY AG (CH) 1989-02-22 EP disclosed