SCHEMBL7341822

SCHEMBL7341822

CCN(CC)C(=S)N1c2ccccc2Sc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 14/20 0.69
POLB P06746 1/20 0.69
ATM Q13315 1/20 0.69
CYP2D6 P10635 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
ACHE P22303 3/20 0.54
NOX1 Q9Y5S8 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.49
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
HTR1A P08908 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
ADRA2C P18825 1/20 0.48
CHRM3 P20309 1/20 0.48
HRH2 P25021 1/20 0.48
HTR1D P28221 1/20 0.48

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
SCHEMBL7343904 0.81 BCHE (1.00) BCHEPOLBATMCYP2D6TSHR
SCHEMBL4780247 0.74 BCHE (0.61) BCHEACHENOX1HTR1AHTR2A
SCHEMBL8426443 0.72 BCHE (0.63) BCHEPOLBATMCYP2D6TSHR
SCHEMBL8428712 0.72 BCHE (1.00) BCHEPOLBATMCYP2D6TSHR
SCHEMBL7350072 0.72 BCHE (0.63) BCHEPOLBATMCYP2D6TSHR
SCHEMBL28790339 0.72 BCHE (0.41) BCHEPOLBATMCYP2D6TSHR
SCHEMBL17670562 0.71 NOX1 (0.55) BCHEPOLBATMACHENOX1
SCHEMBL627575 0.71 BCHE (0.65) BCHEPOLBATMACHENOX1
Dacemazine SCHEMBL141968 0.71 BCHE (0.63) BCHEPOLBATMACHENOX1
Dacemazine SCHEMBL29546195 0.71 BCHE (0.63) BCHEPOLBATMACHENOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4833138-A Phenothiazinealkaneamines for treatment of neurotoxic injury WASHINGTON UNIVERSITY (US) 1989-05-23 US disclosed