SCHEMBL9700587

SCHEMBL9700587

CCc1cc(N(C=O)c2ccccc2)cc(CC)c1NC(=S)NC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
ALOX12 P18054 2/20 0.40
CYP3A4 P08684 2/20 0.40
GAA P10253 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 4/20 0.38
EPHX1 P07099 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 2/20 0.33
ATM Q13315 1/20 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
SCHEMBL9456222 0.76 NPC1 (0.47) ALDH1A1SMN1; SMN2MAPTALOX12CYP3A4
SCHEMBL9701670 0.76 LMNA (0.31) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9701664 0.76 LMNA (0.31) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11416478 0.74 HTT (0.54) ALDH1A1SMN1; SMN2MAPTALOX12CYP3A4
SCHEMBL11415823 0.73 KDM4E (0.47) ALDH1A1SMN1; SMN2MAPTALOX12CYP3A4
SCHEMBL9701957 0.72 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9700902 0.70 POLB (0.36) ALDH1A1SMN1; SMN2MAPTCYP3A4GAA
SCHEMBL11423572 0.67 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPTALOX12GAA
SCHEMBL11414292 0.67 KDM4E (0.55) ALDH1A1SMN1; SMN2MAPTALOX12HPGD
SCHEMBL9700700 0.67 GABRA1 (0.51) ALDH1A1POLB

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 2 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
US-5026730-A Anilinophenylthioureas, compositions containing them, and the use thereof in pest control CIBA-GEIGY CORPORATION (US) 1991-06-25 US disclosed