SCHEMBL9700634

SCHEMBL9700634

CCCCCNN=C=Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
KCNH3 Q9ULD8 1/20 0.40
NAAA Q02083 3/20 0.38
EPHX1 P07099 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
STAT1 P42224 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.36
SOAT1 P35610 2/20 0.35
MIF P14174 1/20 0.34

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
SCHEMBL9808465 0.77 SIGMAR1 (0.47) SIGMAR1KCNH3NAAAEPHX1ALDH1A1
SCHEMBL9738358 0.75 NAAA (0.46) SIGMAR1KCNH3NAAAEPHX1ALDH1A1
SCHEMBL964813 0.72 NAAA (0.42) NAAAMIF
SCHEMBL8958323 0.72 NAAA (0.44) SIGMAR1KCNH3NAAAEPHX1ALDH1A1
SCHEMBL10428049 0.72 NAAA (0.44) SIGMAR1KCNH3NAAAEPHX1ALDH1A1
SCHEMBL18245029 0.72 NAAA (0.42) NAAAMIF
SCHEMBL8958331 0.72 NAAA (0.44) SIGMAR1KCNH3NAAAEPHX1ALDH1A1
SCHEMBL10428051 0.72 NAAA (0.44) SIGMAR1KCNH3NAAAEPHX1ALDH1A1
SCHEMBL28105855 0.72 MIF (0.39) NAAAALDH1A1MIF
SCHEMBL29506752 0.71 NAAA (0.42) SIGMAR1KCNH3NAAAEPHX1ALDH1A1

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 3 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