SCHEMBL9523452

SCHEMBL9523452

CN(Cc1ccc(C(=O)NN)cc1)Cc1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.62
CYP2D6 P10635 2/20 0.62
NR1I2 O75469 1/20 0.62
LMNA P02545 1/20 0.62
ADRA2A P08913 1/20 0.62
SLC6A2 P23975 1/20 0.62
HTR2A P28223 1/20 0.62
SLC6A4 P31645 1/20 0.62
KCNH2 Q12809 1/20 0.62
SIGMAR1 Q99720 1/20 0.62
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
HDAC1 Q13547 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
HASPIN Q8TF76 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN2A Q99250 1/20 0.46

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
SCHEMBL9695219 0.79 ACHE (0.70) ACHECYP2D6NR1I2LMNAADRA2A
SCHEMBL10441538 0.79 CYP2D6 (0.61) ACHECYP2D6NR1I2LMNAADRA2A
SCHEMBL9858161 0.78 CYP2D6 (0.74) ACHECYP2D6NR1I2LMNAADRA2A
SCHEMBL9721972 0.78 CYP2D6 (0.74) ACHECYP2D6NR1I2LMNAADRA2A
Butenafine SCHEMBL20456391 0.77 CYP2D6 (1.00) ACHECYP2D6NR1I2LMNAADRA2A
Butenafine SCHEMBL29354083 0.77 CYP2D6 (1.00) ACHECYP2D6NR1I2LMNAADRA2A
Butenafine SCHEMBL65526 0.77 CYP2D6 (1.00) ACHECYP2D6NR1I2LMNAADRA2A
SCHEMBL10932466 0.77 CYP2D6 (1.00) ACHECYP2D6NR1I2LMNAADRA2A
SCHEMBL9722034 0.76 CYP2D6 (0.72) ACHECYP2D6NR1I2LMNAADRA2A
SCHEMBL9722021 0.76 CYP2D6 (0.72) ACHECYP2D6NR1I2LMNAADRA2A

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
EP-0396769-B1 AZOXY COMPOUND KOWA CO. LTD. (JP) 1993-03-10 EP disclosed
US-5093480-A Fungicides KOWA COMPANY, LTD. (JP) 1992-03-03 US disclosed
EP-0396769-A1 AZOXY COMPOUND KOWA CO. LTD. (JP) 1990-11-14 EP disclosed