SCHEMBL9700902

SCHEMBL9700902

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GLA P06280 1/20 0.33
RAB9A P51151 3/20 0.31
ALOX15 P16050 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL9701945 0.77 CHKA (0.39) POLBHTTALDH1A1MAPTKDM4E
SCHEMBL9700700 0.76 GABRA1 (0.51) POLBALDH1A1
SCHEMBL9700883 0.75 GABRA1 (0.32)
SCHEMBL5516786 0.75 ALDH1A1 (0.42) POLBHTTALDH1A1MAPTKDM4E
SCHEMBL43388 0.75 ALDH1A1 (0.42) POLBHTTALDH1A1MAPTKDM4E
SCHEMBL9700892 0.75 GABRA1 (0.32)
SCHEMBL9701957 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1487730 0.73 TSPO (0.41) HTTALDH1A1TSHRRAB9AMEN1
SCHEMBL3725404 0.73 ALDH1A1 (0.42) POLBHTTALDH1A1TSHRL3MBTL1
SCHEMBL9699565 0.72 CYP3A4 (0.58) HTTALDH1A1MAPTKDM4ETSHR

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